
#=======================================================================
data_global
#=======================================================================

_audit_creation_method                   'Jana2006 Version : 16/05/2020'


# 1. PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic            ?
_journal_date_to_coeditor                ?
_journal_date_from_coeditor              ?
_journal_date_accepted                   ?
_journal_date_printers_first             ?
_journal_date_printers_final             ?
_journal_date_proofs_out                 ?
_journal_date_proofs_in                  ?
_journal_coeditor_name                   ?
_journal_coeditor_code                   ?
_journal_coeditor_notes
; ?
;
_journal_techeditor_code                 ?
_journal_paper_category                  ?
_journal_techeditor_notes
; ?
;
_journal_coden_ASTM                      ?
_journal_name_full                       ?
_journal_year                            ?
_journal_volume                          ?
_journal_issue                           ?
_journal_page_first                      ?
_journal_page_last                       ?
_journal_suppl_publ_number               ?
_journal_suppl_publ_pages                ?

#=======================================================================

# 2. SUBMISSION DETAILS

_publ_contact_author_name                ?
_publ_contact_author_address
; ?
;
_publ_contact_author_email               ?
_publ_contact_author_fax                 ?
_publ_contact_author_phone               ?

_publ_requested_journal                  ?
_publ_requested_category                 ?

_publ_contact_letter
; ?
;

#=======================================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title
; ?
;
_publ_section_title_footnote
; ?
;
loop_
 _publ_author_name
 _publ_author_footnote
 _publ_author_address
; ?      # name
;
; ?      # footnote
;
; ?      # address
;

#=======================================================================

# 4. TEXT

_publ_section_synopsis
; ?
;
_publ_section_abstract
; ?
;
_publ_section_comment
; ?
;
_publ_section_introduction
; ?
;
_publ_section_experimental
; ?
;
_publ_section_exptl_prep
; ?
;
_publ_section_exptl_refinement
; ?
;
_publ_section_exptl_solution
; ?
;
_publ_section_discussion
; ?
;
_publ_section_acknowledgements
; ?
;
_publ_section_references
;
Petricek, V., Dusek, M. & Palatinus L. (2014). Z. Kristallogr. 229(5), 345-352.

Palatinus L. & Chapuis G. (2007). J. Appl. Cryst. 40, 786-790.

# enable this reference if Diamond ver. 2 was used for visualization
#Brandenburg, K. (1999). DIAMOND. Version. 2.1c.
#Crystal Impact GbR, Bonn, Germany.

# enable this reference if Diamond ver. 3 was used for visualization
#Brandenburg, K. & Putz, H. (2005). DIAMOND Version 3.
#Crystal Impact GbR, Postfach 1251, D-53002 Bonn, Germany.

# enable this reference if SIR97 was used for solving of the structure
#Altomare, A., Burla, M. C., Camalli, M., Cascarano, G., Giacovazzo, C.,
#Guagliardi, A., Moliterni, A. G. G., Polidori, G., Spagna, R. (1997).
#SIR97. A Package for Crystal Structure Solution by Direct Methods
#and Refinement, Bari, Rome, Italy.

# use this reference if SIR2002 was used for solving of the structure
#Burla, M.C., Camalli, M., Carrozzini, B., Cascarano, G., Giacovazzo, C.,
#Polidori, G., Spagna, R.
#SIR2002: the program, J. Appl. Cryst, (2003). 36, 1103


# use this reference if SIR2011 was used for solving of the structure
#Burla, M.C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano,
#G.L., Giacovazzo, C., Mallamo. M., Mazzone, A., Polidori, G., Spagna, R.
#SIR2011: a new package for crystal structure determination and refinement,
#J.Appl.Cryst. (2012) 45, 357-361

# enable this reference if bond valences were calculated
#Brown, I. D. (1996). J. Appl. Cryst. 29, 479-480.

# enable this reference if Xshape wase used for crystal shape refinement
#Stoe & Cie (1998). X-SHAPE. Stoe & Cie, Darmstadt, Germany.


# enable this reference if Flack coefficient was refined
#Flack, H. D. (1983). Acta Cryst. A39, 876-881.
;
_publ_section_figure_captions
; ?
;
_publ_section_table_legends
; ?
;

#=======================================================================
data_I
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic
; ?
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'Ag2.8 Pb11.8 Bi9.9 Sb1.3 S30'
_chemical_formula_weight                 5973.9
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting                   monoclinic
_symmetry_space_group_name_H-M           'C 1 2/m 1'
_symmetry_space_group_name_Hall          '-C 2y'
_symmetry_Int_Tables_number              12

loop_
 _space_group_symop_id
 _space_group_symop_operation_xyz
 1   x,y,z
 2   -x,y,-z
 3   -x,-y,-z
 4   x,-y,z
 5   x+1/2,y+1/2,z
 6   -x+1/2,y+1/2,-z
 7   -x+1/2,-y+1/2,-z
 8   x+1/2,-y+1/2,z

_cell_length_a                           13.5394(10)
_cell_length_b                           4.0992(3)
_cell_length_c                           25.506(3)
_cell_angle_alpha                        90
_cell_angle_beta                         95.597(8)
_cell_angle_gamma                        90
_cell_volume                             1408.9(2)

loop_
 _twin_individual_id
 _twin_individual_mass_fraction_refined
 _twin_individual_twin_matrix_11
 _twin_individual_twin_matrix_12
 _twin_individual_twin_matrix_13
 _twin_individual_twin_matrix_21
 _twin_individual_twin_matrix_22
 _twin_individual_twin_matrix_23
 _twin_individual_twin_matrix_31
 _twin_individual_twin_matrix_32
 _twin_individual_twin_matrix_33
 ? ? ? ? ? ? ? ? ? ? ?

_cell_formula_units_Z                    1

_cell_measurement_reflns_used            2140
_cell_measurement_theta_min              3.04
_cell_measurement_theta_max              29.38
_cell_measurement_temperature            284(18)
_cell_special_details
; ?
;

_exptl_crystal_density_diffrn            7.0411
_exptl_crystal_density_meas              ?
_exptl_crystal_density_method            ?
_exptl_crystal_F_000                     2482

_exptl_absorpt_coefficient_mu            69.039
_exptl_crystal_description               ?
_exptl_crystal_size_max                  0.184
_exptl_crystal_size_mid                  0.066
_exptl_crystal_size_min                  0.039
_exptl_crystal_size_rad                  ?
_exptl_crystal_colour                    ?
_exptl_absorpt_correction_type           'gaussian'
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.35c (Rigaku Oxford Diffraction, 2017)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min          0.019
_exptl_absorpt_correction_T_max          0.139
loop_
 _exptl_crystal_face_index_h
 _exptl_crystal_face_index_k
 _exptl_crystal_face_index_l
 _exptl_crystal_face_perp_dist
 ? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details                   ?

_diffrn_ambient_temperature              284
_diffrn_source                           'micro-focus sealed X-ray tube'
_diffrn_source_power                     ?
_diffrn_source_voltage                   ?
_diffrn_source_current                   ?
_diffrn_radiation_type                   'Mo K\a'
_diffrn_radiation_source                 'X-ray tube'
_diffrn_radiation_wavelength             0.71073
_diffrn_radiation_monochromator          'mirror'
_diffrn_measurement_device               ?
_diffrn_measurement_device_type          'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_detector                         'CCD plate'
_diffrn_detector_area_resol_mean         10.4054
_diffrn_measurement_method               'ω scans'
_diffrn_measurement_specimen_support     ?

_diffrn_reflns_number                    10503
_diffrn_reflns_theta_min                 3.02
_diffrn_reflns_theta_max                 29.57
_diffrn_reflns_theta_full                28.19
_diffrn_measured_fraction_theta_max      0.92
_diffrn_measured_fraction_theta_full     0.98
_diffrn_reflns_av_R_equivalents          0.0692
_diffrn_reflns_av_unetI/netI             0.0503
_diffrn_reflns_limit_h_min               -18
_diffrn_reflns_limit_h_max               18
_diffrn_reflns_limit_k_min               -5
_diffrn_reflns_limit_k_max               5
_diffrn_reflns_limit_l_min               -35
_diffrn_reflns_limit_l_max               33
_diffrn_reflns_reduction_process         ?

_diffrn_standards_number                 ?
_diffrn_standards_interval_count         ?
_diffrn_standards_interval_time          ?
_diffrn_standards_decay_%                ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
  ? ? ?

_diffrn_radiation_probe                  X-ray

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details
; ?
;

_reflns_number_total                     8500
_reflns_number_gt                        5448
_reflns_threshold_expression             'I>3σ(I)'

_refine_ls_structure_factor_coef         F
_refine_ls_R_factor_gt                   0.0860
_refine_ls_wR_factor_gt                  0.0783
_refine_ls_R_factor_all                  0.1282
_refine_ls_wR_factor_ref                 0.0873
_refine_ls_goodness_of_fit_ref           2.09
_refine_ls_goodness_of_fit_gt            2.34
_refine_ls_restrained_S_gt               ?
_refine_ls_restrained_S_all              ?
_refine_ls_number_reflns                 8500
_refine_ls_number_parameters             66
_refine_ls_number_restraints             0
_refine_ls_number_constraints            48
_refine_ls_weighting_scheme              sigma
_refine_ls_weighting_details             'w=1/(σ²(F)+0.0001F²)'
_refine_ls_hydrogen_treatment            ?
_refine_ls_shift/su_max                  0.0474
_refine_ls_shift/su_mean                 0.0153
_refine_diff_density_max                 7.67
_refine_diff_density_min                 -8.94
_refine_ls_extinction_method             'none'
_refine_ls_extinction_coef               ?
_refine_ls_extinction_expression         ?
_refine_ls_abs_structure_details         ?
_refine_ls_abs_structure_Flack           ?
_refine_ls_abs_structure_Rogers          ?

loop_
 _atom_type_symbol
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 Ag  -0.8971  1.1015
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Bi  -4.1077 10.2566
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Pb  -3.3944 10.1111
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 S    0.1246  0.1234
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Sb  -0.5866  1.5461
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection
 'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_cell_refinement
 'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_data_reduction
 'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_structure_solution            ?
_computing_structure_refinement          ?
_computing_molecular_graphics            ?
_computing_publication_material          ?

#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_U_iso_or_equiv
 _atom_site_site_symmetry_multiplicity
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
  Bi1 Bi 0.12910(5) 1.5 0.96118(3) Uani 0.0148(2) 4 0.54 d . . .
  Sb1 Sb 0.12910(5) 1.5 0.96118(3) Uani 0.0148(2) 4 0.06 d . . .
  Pb1 Pb 0.12910(5) 1.5 0.96118(3) Uani 0.0148(2) 4 0.4 d . . .
  Pb3 Pb 0.14505(6) 1 0.80680(5) Uani 0.0403(4) 4 1 d . . .
  Bi2 Bi 0.39275(6) 1.5 0.89496(4) Uani 0.0233(3) 4 0.5 d . . .
  Pb2 Pb 0.39275(6) 1.5 0.89496(4) Uani 0.0233(3) 4 0.214(7) d . . .
  Ag2 Ag 0.39275(6) 1.5 0.89496(4) Uani 0.0233(3) 4 0.286(7) d . . .
  Pb6 Pb 0.28533(6) 0 0.57122(4) Uani 0.0371(3) 4 0.9 d . . .
  Bi6 Bi 0.28533(6) 0 0.57122(4) Uani 0.0371(3) 4 0.1 d . . .
  Bi5 Bi 0.57168(6) 1 0.64576(4) Uani 0.0237(3) 4 0.741(9) d . . .
  Sb5 Sb 0.57168(6) 1 0.64576(4) Uani 0.0237(3) 4 0.259(9) d . . .
  Pb7 Pb 0.5 0.5 0.5 Uani 0.0389(5) 2 1 d . . .
  Pb4 Pb 0.36003(7) 0.5 0.71343(4) Uani 0.0267(4) 4 0.074(8) d . . .
  Bi4 Bi 0.36003(7) 0.5 0.71343(4) Uani 0.0267(4) 4 0.5 d . . .
  Ag4 Ag 0.36003(7) 0.5 0.71343(4) Uani 0.0267(4) 4 0.426(8) d . . .
  S2 S 0.2484(3) 1 0.92198(19) Uiso 0.0179(10) 4 1 d . . .
  S3 S 0.0202(3) 1.5 0.86723(17) Uiso 0.0100(9) 4 1 d . . .
  S5 S 0.4958(4) 1 0.7342(2) Uiso 0.0248(12) 4 1 d . . .
  S4 S 0.2862(4) 1.5 0.8035(2) Uiso 0.0267(12) 4 1 d . . .
  S7 S 0.4305(4) 0.5 0.6053(2) Uiso 0.0280(12) 4 1 d . . .
  S1 S 0.5 1.5 1 Uiso 0.128(6) 2 1 d . . .
  S6 S 0.6996(6) 0.5 0.6860(3) Uiso 0.065(2) 4 1 d . . .
  S8 S 0.3501(4) 0 0.4696(2) Uiso 0.0297(13) 4 1 d . . .



#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_site_symmetry_1
 _geom_bond_site_symmetry_2
 _geom_bond_distance
 _geom_bond_publ_flag
  Bi1 S2 . . 2.850(3) ?
  Bi1 S2 . 1_565 2.850(3) ?
  Bi1 S2 . 6_557 3.266(5) ?
  Bi1 S3 . . 2.689(4) ?
  Bi1 S1 . 5_445 2.9282(6) ?
  Bi1 S1 . 5_455 2.9282(6) ?
  Sb1 S2 . . 2.850(3) ?
  Sb1 S2 . 1_565 2.850(3) ?
  Sb1 S2 . 6_557 3.266(5) ?
  Sb1 S3 . . 2.689(4) ?
  Sb1 S1 . 5_445 2.9282(6) ?
  Sb1 S1 . 5_455 2.9282(6) ?
  Pb1 S2 . . 2.850(3) ?
  Pb1 S2 . 1_565 2.850(3) ?
  Pb1 S2 . 6_557 3.266(5) ?
  Pb1 S3 . . 2.689(4) ?
  Pb1 S1 . 5_445 2.9282(6) ?
  Pb1 S1 . 5_455 2.9282(6) ?
  Pb3 S2 . . 3.128(5) ?
  Pb3 S3 . 1_545 3.153(3) ?
  Pb3 S3 . . 3.153(3) ?
  Pb3 S5 . 5_445 3.314(4) ?
  Pb3 S5 . 5_455 3.314(4) ?
  Pb3 S4 . 1_545 2.809(4) ?
  Pb3 S4 . . 2.809(4) ?
  Pb3 S6 . 5_455 3.238(9) ?
  Bi2 S2 . . 2.960(3) ?
  Bi2 S2 . 1_565 2.960(3) ?
  Bi2 S3 . 5_545 2.813(3) ?
  Bi2 S3 . 5_555 2.813(3) ?
  Bi2 S4 . . 2.620(5) ?
  Bi2 S1 . . 2.9202(11) ?
  Pb2 S2 . . 2.960(3) ?
  Pb2 S2 . 1_565 2.960(3) ?
  Pb2 S3 . 5_545 2.813(3) ?
  Pb2 S3 . 5_555 2.813(3) ?
  Pb2 S4 . . 2.620(5) ?
  Pb2 S1 . . 2.9202(11) ?
  Ag2 S2 . . 2.960(3) ?
  Ag2 S2 . 1_565 2.960(3) ?
  Ag2 S3 . 5_545 2.813(3) ?
  Ag2 S3 . 5_555 2.813(3) ?
  Ag2 S4 . . 2.620(5) ?
  Ag2 S1 . . 2.9202(11) ?
  Pb6 S7 . 1_545 2.913(4) ?
  Pb6 S7 . . 2.913(4) ?
  Pb6 S6 . 5_445 3.252(9) ?
  Pb6 S8 . . 2.817(6) ?
  Pb6 S8 . 6_546 2.876(3) ?
  Pb6 S8 . 6_556 2.876(3) ?
  Bi6 S7 . 1_545 2.913(4) ?
  Bi6 S7 . . 2.913(4) ?
  Bi6 S6 . 5_445 3.252(9) ?
  Bi6 S8 . . 2.817(6) ?
  Bi6 S8 . 6_546 2.876(3) ?
  Bi6 S8 . 6_556 2.876(3) ?
  Bi5 S5 . . 2.567(6) ?
  Bi5 S7 . . 2.921(4) ?
  Bi5 S7 . 1_565 2.921(4) ?
  Bi5 S6 . . 2.812(5) ?
  Bi5 S6 . 1_565 2.812(5) ?
  Bi5 S8 . 2_666 3.222(6) ?
  Sb5 S5 . . 2.567(6) ?
  Sb5 S7 . . 2.921(4) ?
  Sb5 S7 . 1_565 2.921(4) ?
  Sb5 S6 . . 2.812(5) ?
  Sb5 S6 . 1_565 2.812(5) ?
  Sb5 S8 . 2_666 3.222(6) ?
  Pb7 S7 . . 2.931(6) ?
  Pb7 S7 . 2_656 2.931(6) ?
  Pb7 S8 . . 2.935(3) ?
  Pb7 S8 . 1_565 2.935(3) ?
  Pb7 S8 . 2_656 2.935(3) ?
  Pb7 S8 . 2_666 2.935(3) ?
  Pb4 S5 . 1_545 2.770(3) ?
  Pb4 S5 . . 2.770(3) ?
  Pb4 S4 . 1_545 2.594(6) ?
  Pb4 S7 . . 3.005(6) ?
  Pb4 S6 . 5_445 3.018(6) ?
  Pb4 S6 . 5_455 3.018(6) ?
  Bi4 S5 . 1_545 2.770(3) ?
  Bi4 S5 . . 2.770(3) ?
  Bi4 S4 . 1_545 2.594(6) ?
  Bi4 S7 . . 3.005(6) ?
  Bi4 S6 . 5_445 3.018(6) ?
  Bi4 S6 . 5_455 3.018(6) ?
  Ag4 S5 . 1_545 2.770(3) ?
  Ag4 S5 . . 2.770(3) ?
  Ag4 S4 . 1_545 2.594(6) ?
  Ag4 S7 . . 3.005(6) ?
  Ag4 S6 . 5_445 3.018(6) ?
  Ag4 S6 . 5_455 3.018(6) ?

loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_2
 _geom_angle_site_symmetry_3
 _geom_angle
 _geom_angle_publ_flag
  S2 Bi1 S2 . . 1_565 91.96(10) ?
  S2 Bi1 S2 . . 6_557 93.75(11) ?
  S2 Bi1 S3 . . . 88.15(11) ?
  S2 Bi1 S1 . . 5_445 89.58(7) ?
  S2 Bi1 S1 . . 5_455 177.88(8) ?
  S2 Bi1 S2 1_565 . 6_557 93.75(11) ?
  S2 Bi1 S3 1_565 . . 88.15(11) ?
  S2 Bi1 S1 1_565 . 5_445 177.88(8) ?
  S2 Bi1 S1 1_565 . 5_455 89.58(7) ?
  S2 Bi1 S3 6_557 . . 177.27(13) ?
  S2 Bi1 S1 6_557 . 5_445 87.61(6) ?
  S2 Bi1 S1 6_557 . 5_455 87.61(6) ?
  S3 Bi1 S1 . . 5_445 90.44(7) ?
  S3 Bi1 S1 . . 5_455 90.44(7) ?
  S1 Bi1 S1 5_445 . 5_455 88.85(2) ?
  S2 Sb1 S2 . . 1_565 91.96(10) ?
  S2 Sb1 S2 . . 6_557 93.75(11) ?
  S2 Sb1 S3 . . . 88.15(11) ?
  S2 Sb1 S1 . . 5_445 89.58(7) ?
  S2 Sb1 S1 . . 5_455 177.88(8) ?
  S2 Sb1 S2 1_565 . 6_557 93.75(11) ?
  S2 Sb1 S3 1_565 . . 88.15(11) ?
  S2 Sb1 S1 1_565 . 5_445 177.88(8) ?
  S2 Sb1 S1 1_565 . 5_455 89.58(7) ?
  S2 Sb1 S3 6_557 . . 177.27(13) ?
  S2 Sb1 S1 6_557 . 5_445 87.61(6) ?
  S2 Sb1 S1 6_557 . 5_455 87.61(6) ?
  S3 Sb1 S1 . . 5_445 90.44(7) ?
  S3 Sb1 S1 . . 5_455 90.44(7) ?
  S1 Sb1 S1 5_445 . 5_455 88.85(2) ?
  S2 Pb1 S2 . . 1_565 91.96(10) ?
  S2 Pb1 S2 . . 6_557 93.75(11) ?
  S2 Pb1 S3 . . . 88.15(11) ?
  S2 Pb1 S1 . . 5_445 89.58(7) ?
  S2 Pb1 S1 . . 5_455 177.88(8) ?
  S2 Pb1 S2 1_565 . 6_557 93.75(11) ?
  S2 Pb1 S3 1_565 . . 88.15(11) ?
  S2 Pb1 S1 1_565 . 5_445 177.88(8) ?
  S2 Pb1 S1 1_565 . 5_455 89.58(7) ?
  S2 Pb1 S3 6_557 . . 177.27(13) ?
  S2 Pb1 S1 6_557 . 5_445 87.61(6) ?
  S2 Pb1 S1 6_557 . 5_455 87.61(6) ?
  S3 Pb1 S1 . . 5_445 90.44(7) ?
  S3 Pb1 S1 . . 5_455 90.44(7) ?
  S1 Pb1 S1 5_445 . 5_455 88.85(2) ?
  S2 Pb3 S3 . . 1_545 75.70(10) ?
  S2 Pb3 S3 . . . 75.70(10) ?
  S2 Pb3 S5 . . 5_445 135.83(8) ?
  S2 Pb3 S5 . . 5_455 135.83(8) ?
  S2 Pb3 S4 . . 1_545 77.56(12) ?
  S2 Pb3 S4 . . . 77.56(12) ?
  S2 Pb3 S6 . . 5_455 140.44(17) ?
  S3 Pb3 S3 1_545 . . 81.08(8) ?
  S3 Pb3 S5 1_545 . 5_445 62.91(11) ?
  S3 Pb3 S5 1_545 . 5_455 110.40(11) ?
  S3 Pb3 S4 1_545 . 1_545 86.49(11) ?
  S3 Pb3 S4 1_545 . . 152.56(14) ?
  S3 Pb3 S6 1_545 . 5_455 130.40(10) ?
  S3 Pb3 S5 . . 5_445 110.40(11) ?
  S3 Pb3 S5 . . 5_455 62.91(11) ?
  S3 Pb3 S4 . . 1_545 152.56(14) ?
  S3 Pb3 S4 . . . 86.49(11) ?
  S3 Pb3 S6 . . 5_455 130.40(10) ?
  S5 Pb3 S5 5_445 . 5_455 76.41(8) ?
  S5 Pb3 S4 5_445 . 1_545 84.92(11) ?
  S5 Pb3 S4 5_445 . . 144.50(15) ?
  S5 Pb3 S6 5_445 . 5_455 69.60(14) ?
  S5 Pb3 S4 5_455 . 1_545 144.50(15) ?
  S5 Pb3 S4 5_455 . . 84.92(11) ?
  S5 Pb3 S6 5_455 . 5_455 69.60(14) ?
  S4 Pb3 S4 1_545 . . 93.73(11) ?
  S4 Pb3 S6 1_545 . 5_455 75.69(14) ?
  S4 Pb3 S6 . . 5_455 75.69(14) ?
  S2 Bi2 S2 . . 1_565 87.66(9) ?
  S2 Bi2 S3 . . 5_545 89.38(9) ?
  S2 Bi2 S3 . . 5_555 176.52(10) ?
  S2 Bi2 S4 . . . 83.58(13) ?
  S2 Bi2 S1 . . . 93.84(9) ?
  S2 Bi2 S3 1_565 . 5_545 176.52(10) ?
  S2 Bi2 S3 1_565 . 5_555 89.38(9) ?
  S2 Bi2 S4 1_565 . . 83.58(13) ?
  S2 Bi2 S1 1_565 . . 93.84(9) ?
  S3 Bi2 S3 5_545 . 5_555 93.52(9) ?
  S3 Bi2 S4 5_545 . . 94.26(12) ?
  S3 Bi2 S1 5_545 . . 88.19(9) ?
  S3 Bi2 S4 5_555 . . 94.26(12) ?
  S3 Bi2 S1 5_555 . . 88.19(9) ?
  S4 Bi2 S1 . . . 176.42(13) ?
  S2 Pb2 S2 . . 1_565 87.66(9) ?
  S2 Pb2 S3 . . 5_545 89.38(9) ?
  S2 Pb2 S3 . . 5_555 176.52(10) ?
  S2 Pb2 S4 . . . 83.58(13) ?
  S2 Pb2 S1 . . . 93.84(9) ?
  S2 Pb2 S3 1_565 . 5_545 176.52(10) ?
  S2 Pb2 S3 1_565 . 5_555 89.38(9) ?
  S2 Pb2 S4 1_565 . . 83.58(13) ?
  S2 Pb2 S1 1_565 . . 93.84(9) ?
  S3 Pb2 S3 5_545 . 5_555 93.52(9) ?
  S3 Pb2 S4 5_545 . . 94.26(12) ?
  S3 Pb2 S1 5_545 . . 88.19(9) ?
  S3 Pb2 S4 5_555 . . 94.26(12) ?
  S3 Pb2 S1 5_555 . . 88.19(9) ?
  S4 Pb2 S1 . . . 176.42(13) ?
  S2 Ag2 S2 . . 1_565 87.66(9) ?
  S2 Ag2 S3 . . 5_545 89.38(9) ?
  S2 Ag2 S3 . . 5_555 176.52(10) ?
  S2 Ag2 S4 . . . 83.58(13) ?
  S2 Ag2 S1 . . . 93.84(9) ?
  S2 Ag2 S3 1_565 . 5_545 176.52(10) ?
  S2 Ag2 S3 1_565 . 5_555 89.38(9) ?
  S2 Ag2 S4 1_565 . . 83.58(13) ?
  S2 Ag2 S1 1_565 . . 93.84(9) ?
  S3 Ag2 S3 5_545 . 5_555 93.52(9) ?
  S3 Ag2 S4 5_545 . . 94.26(12) ?
  S3 Ag2 S1 5_545 . . 88.19(9) ?
  S3 Ag2 S4 5_555 . . 94.26(12) ?
  S3 Ag2 S1 5_555 . . 88.19(9) ?
  S4 Ag2 S1 . . . 176.42(13) ?
  S7 Pb6 S7 1_545 . . 89.42(10) ?
  S7 Pb6 S6 1_545 . 5_445 91.20(15) ?
  S7 Pb6 S8 1_545 . . 90.75(14) ?
  S7 Pb6 S8 1_545 . 6_546 89.68(10) ?
  S7 Pb6 S8 1_545 . 6_556 175.60(16) ?
  S7 Pb6 S6 . . 5_445 91.20(15) ?
  S7 Pb6 S8 . . . 90.75(14) ?
  S7 Pb6 S8 . . 6_546 175.60(16) ?
  S7 Pb6 S8 . . 6_556 89.68(10) ?
  S6 Pb6 S8 5_445 . . 177.26(17) ?
  S6 Pb6 S8 5_445 . 6_546 93.13(15) ?
  S6 Pb6 S8 5_445 . 6_556 93.13(15) ?
  S8 Pb6 S8 . . 6_546 84.95(13) ?
  S8 Pb6 S8 . . 6_556 84.95(13) ?
  S8 Pb6 S8 6_546 . 6_556 90.89(10) ?
  S7 Bi6 S7 1_545 . . 89.42(10) ?
  S7 Bi6 S6 1_545 . 5_445 91.20(15) ?
  S7 Bi6 S8 1_545 . . 90.75(14) ?
  S7 Bi6 S8 1_545 . 6_546 89.68(10) ?
  S7 Bi6 S8 1_545 . 6_556 175.60(16) ?
  S7 Bi6 S6 . . 5_445 91.20(15) ?
  S7 Bi6 S8 . . . 90.75(14) ?
  S7 Bi6 S8 . . 6_546 175.60(16) ?
  S7 Bi6 S8 . . 6_556 89.68(10) ?
  S6 Bi6 S8 5_445 . . 177.26(17) ?
  S6 Bi6 S8 5_445 . 6_546 93.13(15) ?
  S6 Bi6 S8 5_445 . 6_556 93.13(15) ?
  S8 Bi6 S8 . . 6_546 84.95(13) ?
  S8 Bi6 S8 . . 6_556 84.95(13) ?
  S8 Bi6 S8 6_546 . 6_556 90.89(10) ?
  S5 Bi5 S7 . . . 90.36(14) ?
  S5 Bi5 S7 . . 1_565 90.36(14) ?
  S5 Bi5 S6 . . . 88.0(2) ?
  S5 Bi5 S6 . . 1_565 88.0(2) ?
  S5 Bi5 S8 . . 2_666 175.64(14) ?
  S7 Bi5 S7 . . 1_565 89.11(10) ?
  S7 Bi5 S6 . . . 88.63(13) ?
  S7 Bi5 S6 . . 1_565 177.18(17) ?
  S7 Bi5 S8 . . 2_666 86.53(13) ?
  S7 Bi5 S6 1_565 . . 177.18(17) ?
  S7 Bi5 S6 1_565 . 1_565 88.63(13) ?
  S7 Bi5 S8 1_565 . 2_666 86.53(13) ?
  S6 Bi5 S6 . . 1_565 93.58(16) ?
  S6 Bi5 S8 . . 2_666 95.01(19) ?
  S6 Bi5 S8 1_565 . 2_666 95.01(19) ?
  S5 Sb5 S7 . . . 90.36(14) ?
  S5 Sb5 S7 . . 1_565 90.36(14) ?
  S5 Sb5 S6 . . . 88.0(2) ?
  S5 Sb5 S6 . . 1_565 88.0(2) ?
  S5 Sb5 S8 . . 2_666 175.64(14) ?
  S7 Sb5 S7 . . 1_565 89.11(10) ?
  S7 Sb5 S6 . . . 88.63(13) ?
  S7 Sb5 S6 . . 1_565 177.18(17) ?
  S7 Sb5 S8 . . 2_666 86.53(13) ?
  S7 Sb5 S6 1_565 . . 177.18(17) ?
  S7 Sb5 S6 1_565 . 1_565 88.63(13) ?
  S7 Sb5 S8 1_565 . 2_666 86.53(13) ?
  S6 Sb5 S6 . . 1_565 93.58(16) ?
  S6 Sb5 S8 . . 2_666 95.01(19) ?
  S6 Sb5 S8 1_565 . 2_666 95.01(19) ?
  S7 Pb7 S7 . . 2_656 180 ?
  S7 Pb7 S8 . . . 88.11(13) ?
  S7 Pb7 S8 . . 1_565 88.11(13) ?
  S7 Pb7 S8 . . 2_656 91.89(13) ?
  S7 Pb7 S8 . . 2_666 91.89(13) ?
  S7 Pb7 S8 2_656 . . 91.89(13) ?
  S7 Pb7 S8 2_656 . 1_565 91.89(13) ?
  S7 Pb7 S8 2_656 . 2_656 88.11(13) ?
  S7 Pb7 S8 2_656 . 2_666 88.11(13) ?
  S8 Pb7 S8 . . 1_565 88.59(9) ?
  S8 Pb7 S8 . . 2_656 91.41(9) ?
  S8 Pb7 S8 . . 2_666 180 ?
  S8 Pb7 S8 1_565 . 2_656 180 ?
  S8 Pb7 S8 1_565 . 2_666 91.41(9) ?
  S8 Pb7 S8 2_656 . 2_666 88.59(9) ?
  S5 Pb4 S5 1_545 . . 95.45(11) ?
  S5 Pb4 S4 1_545 . 1_545 97.87(14) ?
  S5 Pb4 S7 1_545 . . 84.89(13) ?
  S5 Pb4 S6 1_545 . 5_445 89.49(13) ?
  S5 Pb4 S6 1_545 . 5_455 174.87(13) ?
  S5 Pb4 S4 . . 1_545 97.87(14) ?
  S5 Pb4 S7 . . . 84.89(13) ?
  S5 Pb4 S6 . . 5_445 174.87(13) ?
  S5 Pb4 S6 . . 5_455 89.49(13) ?
  S4 Pb4 S7 1_545 . . 175.86(15) ?
  S4 Pb4 S6 1_545 . 5_445 82.80(19) ?
  S4 Pb4 S6 1_545 . 5_455 82.80(19) ?
  S7 Pb4 S6 . . 5_445 94.18(18) ?
  S7 Pb4 S6 . . 5_455 94.18(18) ?
  S6 Pb4 S6 5_445 . 5_455 85.54(14) ?
  S5 Bi4 S5 1_545 . . 95.45(11) ?
  S5 Bi4 S4 1_545 . 1_545 97.87(14) ?
  S5 Bi4 S7 1_545 . . 84.89(13) ?
  S5 Bi4 S6 1_545 . 5_445 89.49(13) ?
  S5 Bi4 S6 1_545 . 5_455 174.87(13) ?
  S5 Bi4 S4 . . 1_545 97.87(14) ?
  S5 Bi4 S7 . . . 84.89(13) ?
  S5 Bi4 S6 . . 5_445 174.87(13) ?
  S5 Bi4 S6 . . 5_455 89.49(13) ?
  S4 Bi4 S7 1_545 . . 175.86(15) ?
  S4 Bi4 S6 1_545 . 5_445 82.80(19) ?
  S4 Bi4 S6 1_545 . 5_455 82.80(19) ?
  S7 Bi4 S6 . . 5_445 94.18(18) ?
  S7 Bi4 S6 . . 5_455 94.18(18) ?
  S6 Bi4 S6 5_445 . 5_455 85.54(14) ?
  S5 Ag4 S5 1_545 . . 95.45(11) ?
  S5 Ag4 S4 1_545 . 1_545 97.87(14) ?
  S5 Ag4 S7 1_545 . . 84.89(13) ?
  S5 Ag4 S6 1_545 . 5_445 89.49(13) ?
  S5 Ag4 S6 1_545 . 5_455 174.87(13) ?
  S5 Ag4 S4 . . 1_545 97.87(14) ?
  S5 Ag4 S7 . . . 84.89(13) ?
  S5 Ag4 S6 . . 5_445 174.87(13) ?
  S5 Ag4 S6 . . 5_455 89.49(13) ?
  S4 Ag4 S7 1_545 . . 175.86(15) ?
  S4 Ag4 S6 1_545 . 5_445 82.80(19) ?
  S4 Ag4 S6 1_545 . 5_455 82.80(19) ?
  S7 Ag4 S6 . . 5_445 94.18(18) ?
  S7 Ag4 S6 . . 5_455 94.18(18) ?
  S6 Ag4 S6 5_445 . 5_455 85.54(14) ?

loop_
 _geom_torsion_atom_site_label_1
 _geom_torsion_atom_site_label_2
 _geom_torsion_atom_site_label_3
 _geom_torsion_atom_site_label_4
 _geom_torsion_site_symmetry_1
 _geom_torsion_site_symmetry_2
 _geom_torsion_site_symmetry_3
 _geom_torsion_site_symmetry_4
 _geom_torsion
 _geom_torsion_publ_flag
 ? ? ? ? ? ? ? ? ? ?

loop_
 _geom_hbond_atom_site_label_D
 _geom_hbond_atom_site_label_H
 _geom_hbond_atom_site_label_A
 _geom_hbond_site_symmetry_D
 _geom_hbond_site_symmetry_H
 _geom_hbond_site_symmetry_A
 _geom_hbond_distance_DH
 _geom_hbond_distance_HA
 _geom_hbond_distance_DA
 _geom_hbond_angle_DHA
 _geom_hbond_publ_flag
 ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 11. STRUCTURE-FACTOR LIST



