 
data_uchu213 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'Ag0.99 Bi0.01 Mn0.92 Pb3.03 S12 Sb5.02' 
_chemical_formula_weight          1783.12 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'S'  'S'   0.1246   0.1234 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Ag'  'Ag'  -0.8971   1.1015 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Sb'  'Sb'  -0.5866   1.5461 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Pb'  'Pb'  -3.3944  10.1111 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Mn'  'Mn'   0.3368   0.7283 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Bi'  'Bi'  -4.1077  10.2566 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            ? 
_symmetry_space_group_name_H-M    ? 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x-1/2, -y-1/2, z-1/2' 
 
_cell_length_a                    19.3645(11) 
_cell_length_b                    12.7287(8) 
_cell_length_c                    8.7571(6) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.059(3) 
_cell_angle_gamma                 90.00 
_cell_volume                      2158.5(2) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           ? 
_exptl_crystal_size_mid           ? 
_exptl_crystal_size_min           ? 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     5.487 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              3067 
_exptl_absorpt_coefficient_mu     32.338 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   ? 
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             29354 
_diffrn_reflns_av_R_equivalents   0.0532 
_diffrn_reflns_av_sigmaI/netI     0.0619 
_diffrn_reflns_limit_h_min        -29 
_diffrn_reflns_limit_h_max        29 
_diffrn_reflns_limit_k_min        -19 
_diffrn_reflns_limit_k_max        13 
_diffrn_reflns_limit_l_min        -13 
_diffrn_reflns_limit_l_max        13 
_diffrn_reflns_theta_min          1.05 
_diffrn_reflns_theta_max          32.63 
_reflns_number_total              7874 
_reflns_number_gt                 6144 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0132P)²+0.0000P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     mixed 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.000008(4) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_number_reflns          7874 
_refine_ls_number_parameters      203 
_refine_ls_number_restraints      1 
_refine_ls_R_factor_all           0.0523 
_refine_ls_R_factor_gt            0.0371 
_refine_ls_wR_factor_ref          0.0629 
_refine_ls_wR_factor_gt           0.0502 
_refine_ls_goodness_of_fit_ref    0.983 
_refine_ls_restrained_S_all       0.983 
_refine_ls_shift/su_max           0.007 
_refine_ls_shift/su_mean          0.000 
 
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Pb1 Pb 0.25569(2) 0.90189(3) 0.38932(4) 0.02333(8) Uani 1 1 d . . . 
Pb2 Pb 0.24831(2) 0.91430(3) -0.09676(4) 0.02597(8) Uani 1 1 d . . . 
Pb3 Pb 0.05187(2) 0.90209(2) 0.62985(4) 0.02171(8) Uani 1 1 d . . . 
M2 Mn 0.13248(6) 0.14672(8) 0.12630(19) 0.0222(3) Uani 0.901(3) 1 d P . . 
M2A Ag 0.13248(6) 0.14672(8) 0.12630(19) 0.0222(3) Uani 0.0496(14) 1 d P . . 
M2B Sb 0.13248(6) 0.14672(8) 0.12630(19) 0.0222(3) Uani 0.0496(14) 1 d P . . 
Ag1 Ag 0.14180(4) 0.17609(7) 0.62300(11) 0.0432(2) Uani 1 1 d . . . 
Sb1 Sb 0.35239(3) 0.12500(4) 0.64425(7) 0.01855(13) Uani 1 1 d . . . 
Sb2 Sb 0.44416(3) 0.86816(4) 0.61507(7) 0.01736(12) Uani 1 1 d . . . 
Sb3 Sb 0.12858(3) 0.64468(4) 0.38406(8) 0.01656(12) Uani 1 1 d . . . 
Sb4 Sb -0.05365(3) 0.64186(4) 0.63757(7) 0.01826(12) Uani 1 1 d . . . 
Sb5 Sb 0.05504(3) 0.88068(4) 0.14369(7) 0.01725(12) Uani 1 1 d . . . 
S1 S 0.39618(11) 0.99378(18) -0.1679(2) 0.0186(5) Uani 1 1 d . . . 
S2 S -0.00750(12) 0.75035(18) 0.8472(2) 0.0215(5) Uani 1 1 d . . . 
S3 S 0.23547(10) 0.04514(15) -0.3533(2) 0.0197(4) Uani 1 1 d . . . 
S4 S 0.33934(11) 0.76560(16) 0.6039(3) 0.0194(5) Uani 1 1 d . . . 
S5 S 0.10238(11) 0.98922(17) 0.9397(2) 0.0194(5) Uani 1 1 d . . . 
S6 S 0.16465(11) 0.76181(16) 0.5901(2) 0.0184(5) Uani 1 1 d . . . 
S7 S 0.40151(11) 0.00041(18) 0.4296(3) 0.0182(5) Uani 1 1 d . . . 
S8 S -0.01717(11) 0.76461(17) 0.4299(2) 0.0185(5) Uani 1 1 d . . . 
S9 S 0.25576(10) 0.06069(15) 0.1338(2) 0.0186(4) Uani 1 1 d . . . 
S10 S -0.16685(11) 0.72249(16) 0.6553(3) 0.0183(5) Uani 1 1 d . . . 
S11 S 0.09330(11) 0.00701(16) 0.3350(2) 0.0197(5) Uani 1 1 d . . . 
S12 S 0.15984(11) 0.76684(16) 0.1677(2) 0.0179(5) Uani 1 1 d . . . 
 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Pb1 S3 2.926(2) 1_566 ? 
Pb1 S10 2.994(2) 4_675 ? 
Pb1 S9 3.015(2) 1_565 ? 
Pb1 S4 3.026(2) . ? 
Pb1 S6 3.064(2) . ? 
Pb1 S7 3.109(2) 1_565 ? 
Pb2 S9 2.751(2) 1_565 ? 
Pb2 S3 2.807(2) 1_565 ? 
Pb2 S5 3.000(2) 1_554 ? 
Pb2 S1 3.101(2) . ? 
Pb3 S8 2.813(2) . ? 
Pb3 S6 2.842(2) . ? 
Pb3 S2 2.946(2) . ? 
Pb3 S11 3.016(2) 1_565 ? 
Pb3 S11 3.056(2) 3_566 ? 
Pb3 S5 3.089(2) . ? 
M2 S4 2.580(3) 2_545 ? 
M2 S10 2.621(3) 3_566 ? 
M2 S9 2.627(2) . ? 
M2 S5 2.651(3) 1_544 ? 
M2 S11 2.661(3) . ? 
M2 S2 2.762(3) 3_566 ? 
Ag1 S3 2.472(2) 1_556 ? 
Ag1 S8 2.570(2) 3_566 ? 
Ag1 S4 2.674(3) 2_546 ? 
Ag1 S10 2.801(2) 3_566 ? 
Sb1 S3 2.482(2) 1_556 ? 
Sb1 S1 2.493(2) 1_546 ? 
Sb1 S7 2.637(2) . ? 
Sb1 S6 2.925(2) 2_546 ? 
Sb2 S4 2.415(2) . ? 
Sb2 S7 2.480(2) 1_565 ? 
Sb2 S1 2.653(2) 1_556 ? 
Sb3 S6 2.442(2) . ? 
Sb3 S9 2.487(2) 2 ? 
Sb3 S12 2.525(2) . ? 
Sb4 S10 2.426(2) . ? 
Sb4 S2 2.464(2) . ? 
Sb4 S8 2.500(2) . ? 
Sb5 S11 2.437(2) 1_565 ? 
Sb5 S5 2.438(2) 1_554 ? 
Sb5 S12 2.502(2) . ? 
S1 Sb1 2.493(2) 1_564 ? 
S1 Sb2 2.653(2) 1_554 ? 
S2 M2B 2.762(3) 3_566 ? 
S2 M2A 2.762(3) 3_566 ? 
S2 M2 2.762(3) 3_566 ? 
S3 Ag1 2.472(2) 1_554 ? 
S3 Sb1 2.482(2) 1_554 ? 
S3 Pb2 2.807(2) 1_545 ? 
S3 Pb1 2.926(2) 1_544 ? 
S4 M2B 2.580(3) 2 ? 
S4 M2A 2.580(3) 2 ? 
S4 M2 2.580(3) 2 ? 
S4 Ag1 2.674(3) 2_556 ? 
S5 Sb5 2.438(2) 1_556 ? 
S5 M2B 2.651(3) 1_566 ? 
S5 M2A 2.651(3) 1_566 ? 
S5 M2 2.651(3) 1_566 ? 
S5 Pb2 3.000(2) 1_556 ? 
S6 Sb1 2.925(2) 2_556 ? 
S7 Sb2 2.480(2) 1_545 ? 
S7 Pb1 3.109(2) 1_545 ? 
S8 Ag1 2.570(2) 3_566 ? 
S9 Sb3 2.487(2) 2_545 ? 
S9 Pb2 2.751(2) 1_545 ? 
S9 Pb1 3.015(2) 1_545 ? 
S10 M2B 2.621(3) 3_566 ? 
S10 M2A 2.621(3) 3_566 ? 
S10 M2 2.621(3) 3_566 ? 
S10 Ag1 2.801(2) 3_566 ? 
S10 Pb1 2.994(2) 4_576 ? 
S11 Sb5 2.437(2) 1_545 ? 
S11 Pb3 3.016(2) 1_545 ? 
S11 Pb3 3.056(2) 3_566 ? 
 
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
S3 Pb1 S10 157.59(6) 1_566 4_675 ? 
S3 Pb1 S9 98.87(6) 1_566 1_565 ? 
S10 Pb1 S9 81.14(6) 4_675 1_565 ? 
S3 Pb1 S4 87.18(6) 1_566 . ? 
S10 Pb1 S4 81.59(6) 4_675 . ? 
S9 Pb1 S4 147.61(6) 1_565 . ? 
S3 Pb1 S6 80.96(6) 1_566 . ? 
S10 Pb1 S6 111.97(6) 4_675 . ? 
S9 Pb1 S6 144.76(6) 1_565 . ? 
S4 Pb1 S6 67.54(5) . . ? 
S3 Pb1 S7 77.49(6) 1_566 1_565 ? 
S10 Pb1 S7 80.53(6) 4_675 1_565 ? 
S9 Pb1 S7 79.21(6) 1_565 1_565 ? 
S4 Pb1 S7 71.05(6) . 1_565 ? 
S6 Pb1 S7 133.84(6) . 1_565 ? 
S9 Pb2 S3 100.95(6) 1_565 1_565 ? 
S9 Pb2 S5 75.84(6) 1_565 1_554 ? 
S3 Pb2 S5 79.27(6) 1_565 1_554 ? 
S9 Pb2 S1 83.03(6) 1_565 . ? 
S3 Pb2 S1 74.14(6) 1_565 . ? 
S5 Pb2 S1 141.99(6) 1_554 . ? 
S8 Pb3 S6 84.13(6) . . ? 
S8 Pb3 S2 78.97(6) . . ? 
S6 Pb3 S2 88.14(6) . . ? 
S8 Pb3 S11 82.48(6) . 1_565 ? 
S6 Pb3 S11 88.19(6) . 1_565 ? 
S2 Pb3 S11 161.37(6) . 1_565 ? 
S8 Pb3 S11 82.04(6) . 3_566 ? 
S6 Pb3 S11 163.16(6) . 3_566 ? 
S2 Pb3 S11 79.83(6) . 3_566 ? 
S11 Pb3 S11 99.44(5) 1_565 3_566 ? 
S8 Pb3 S5 156.93(6) . . ? 
S6 Pb3 S5 95.19(6) . . ? 
S2 Pb3 S5 77.96(6) . . ? 
S11 Pb3 S5 120.57(6) 1_565 . ? 
S11 Pb3 S5 93.79(6) 3_566 . ? 
S4 M2 S10 98.27(7) 2_545 3_566 ? 
S4 M2 S9 94.07(8) 2_545 . ? 
S10 M2 S9 90.94(8) 3_566 . ? 
S4 M2 S5 90.48(8) 2_545 1_544 ? 
S10 M2 S5 170.30(9) 3_566 1_544 ? 
S9 M2 S5 84.23(7) . 1_544 ? 
S4 M2 S11 171.68(9) 2_545 . ? 
S10 M2 S11 89.76(8) 3_566 . ? 
S9 M2 S11 87.94(7) . . ? 
S5 M2 S11 81.68(7) 1_544 . ? 
S4 M2 S2 88.48(7) 2_545 3_566 ? 
S10 M2 S2 81.91(7) 3_566 3_566 ? 
S9 M2 S2 172.69(9) . 3_566 ? 
S5 M2 S2 102.62(8) 1_544 3_566 ? 
S11 M2 S2 90.50(7) . 3_566 ? 
S3 Ag1 S8 154.41(8) 1_556 3_566 ? 
S3 Ag1 S4 96.47(7) 1_556 2_546 ? 
S8 Ag1 S4 99.40(7) 3_566 2_546 ? 
S3 Ag1 S10 104.84(7) 1_556 3_566 ? 
S8 Ag1 S10 82.61(7) 3_566 3_566 ? 
S4 Ag1 S10 123.94(7) 2_546 3_566 ? 
S3 Sb1 S1 91.69(7) 1_556 1_546 ? 
S3 Sb1 S7 95.14(7) 1_556 . ? 
S1 Sb1 S7 86.83(7) 1_546 . ? 
S3 Sb1 S6 97.66(7) 1_556 2_546 ? 
S1 Sb1 S6 84.99(7) 1_546 2_546 ? 
S7 Sb1 S6 164.99(7) . 2_546 ? 
S4 Sb2 S7 93.50(8) . 1_565 ? 
S4 Sb2 S1 93.43(8) . 1_556 ? 
S7 Sb2 S1 86.76(7) 1_565 1_556 ? 
S6 Sb3 S9 92.98(7) . 2 ? 
S6 Sb3 S12 96.32(7) . . ? 
S9 Sb3 S12 90.06(7) 2 . ? 
S10 Sb4 S2 92.42(8) . . ? 
S10 Sb4 S8 92.19(7) . . ? 
S2 Sb4 S8 95.12(7) . . ? 
S11 Sb5 S5 90.89(7) 1_565 1_554 ? 
S11 Sb5 S12 94.50(7) 1_565 . ? 
S5 Sb5 S12 94.83(7) 1_554 . ? 
Sb1 S1 Sb2 92.87(7) 1_564 1_554 ? 
Sb1 S1 Pb2 92.15(7) 1_564 . ? 
Sb2 S1 Pb2 105.75(7) 1_554 . ? 
Sb4 S2 M2B 90.65(8) . 3_566 ? 
Sb4 S2 M2A 90.65(8) . 3_566 ? 
M2B S2 M2A 0.00(7) 3_566 3_566 ? 
Sb4 S2 M2 90.65(8) . 3_566 ? 
M2B S2 M2 0.00(7) 3_566 3_566 ? 
M2A S2 M2 0.00(7) 3_566 3_566 ? 
Sb4 S2 Pb3 91.59(7) . . ? 
M2B S2 Pb3 94.93(7) 3_566 . ? 
M2A S2 Pb3 94.93(7) 3_566 . ? 
M2 S2 Pb3 94.93(7) 3_566 . ? 
Ag1 S3 Sb1 113.10(8) 1_554 1_554 ? 
Ag1 S3 Pb2 122.11(9) 1_554 1_545 ? 
Sb1 S3 Pb2 99.79(7) 1_554 1_545 ? 
Ag1 S3 Pb1 117.01(8) 1_554 1_544 ? 
Sb1 S3 Pb1 97.22(7) 1_554 1_544 ? 
Pb2 S3 Pb1 103.59(6) 1_545 1_544 ? 
Sb2 S4 M2B 99.80(8) . 2 ? 
Sb2 S4 M2A 99.80(8) . 2 ? 
M2B S4 M2A 0.00(6) 2 2 ? 
Sb2 S4 M2 99.80(8) . 2 ? 
M2B S4 M2 0.00(6) 2 2 ? 
M2A S4 M2 0.00(6) 2 2 ? 
Sb2 S4 Ag1 94.60(8) . 2_556 ? 
M2B S4 Ag1 114.85(8) 2 2_556 ? 
M2A S4 Ag1 114.85(8) 2 2_556 ? 
M2 S4 Ag1 114.85(8) 2 2_556 ? 
Sb2 S4 Pb1 99.47(7) . . ? 
M2B S4 Pb1 87.96(8) 2 . ? 
M2A S4 Pb1 87.96(8) 2 . ? 
M2 S4 Pb1 87.96(8) 2 . ? 
Ag1 S4 Pb1 150.72(9) 2_556 . ? 
Sb5 S5 M2B 93.40(8) 1_556 1_566 ? 
Sb5 S5 M2A 93.40(8) 1_556 1_566 ? 
M2B S5 M2A 0.00(6) 1_566 1_566 ? 
Sb5 S5 M2 93.40(8) 1_556 1_566 ? 
M2B S5 M2 0.00(6) 1_566 1_566 ? 
M2A S5 M2 0.00(6) 1_566 1_566 ? 
Sb5 S5 Pb2 104.64(8) 1_556 1_556 ? 
M2B S5 Pb2 95.71(7) 1_566 1_556 ? 
M2A S5 Pb2 95.71(7) 1_566 1_556 ? 
M2 S5 Pb2 95.71(7) 1_566 1_556 ? 
Sb5 S5 Pb3 108.73(7) 1_556 . ? 
M2B S5 Pb3 151.91(9) 1_566 . ? 
M2A S5 Pb3 151.91(9) 1_566 . ? 
M2 S5 Pb3 151.91(9) 1_566 . ? 
Pb2 S5 Pb3 95.16(6) 1_556 . ? 
Sb3 S6 Pb3 104.76(8) . . ? 
Sb3 S6 Sb1 101.06(7) . 2_556 ? 
Pb3 S6 Sb1 100.92(7) . 2_556 ? 
Sb3 S6 Pb1 95.47(7) . . ? 
Pb3 S6 Pb1 98.47(6) . . ? 
Sb1 S6 Pb1 150.29(8) 2_556 . ? 
Sb2 S7 Sb1 93.53(7) 1_545 . ? 
Sb2 S7 Pb1 95.88(7) 1_545 1_545 ? 
Sb1 S7 Pb1 89.73(6) . 1_545 ? 
Sb4 S8 Ag1 92.79(7) . 3_566 ? 
Sb4 S8 Pb3 94.03(6) . . ? 
Ag1 S8 Pb3 112.03(8) 3_566 . ? 
Sb3 S9 M2 129.62(8) 2_545 . ? 
Sb3 S9 Pb2 106.96(7) 2_545 1_545 ? 
M2 S9 Pb2 102.53(7) . 1_545 ? 
Sb3 S9 Pb1 109.63(7) 2_545 1_545 ? 
M2 S9 Pb1 107.26(7) . 1_545 ? 
Pb2 S9 Pb1 95.19(6) 1_545 1_545 ? 
Sb4 S10 M2B 94.97(8) . 3_566 ? 
Sb4 S10 M2A 94.97(8) . 3_566 ? 
M2B S10 M2A 0.00(6) 3_566 3_566 ? 
Sb4 S10 M2 94.97(8) . 3_566 ? 
M2B S10 M2 0.00(6) 3_566 3_566 ? 
M2A S10 M2 0.00(6) 3_566 3_566 ? 
Sb4 S10 Ag1 88.96(7) . 3_566 ? 
M2B S10 Ag1 107.34(8) 3_566 3_566 ? 
M2A S10 Ag1 107.34(8) 3_566 3_566 ? 
M2 S10 Ag1 107.34(8) 3_566 3_566 ? 
Sb4 S10 Pb1 105.88(7) . 4_576 ? 
M2B S10 Pb1 87.91(7) 3_566 4_576 ? 
M2A S10 Pb1 87.91(7) 3_566 4_576 ? 
M2 S10 Pb1 87.91(7) 3_566 4_576 ? 
Ag1 S10 Pb1 157.94(8) 3_566 4_576 ? 
Sb5 S11 M2 93.18(8) 1_545 . ? 
Sb5 S11 Pb3 102.44(7) 1_545 1_545 ? 
M2 S11 Pb3 163.75(9) . 1_545 ? 
Sb5 S11 Pb3 92.30(7) 1_545 3_566 ? 
M2 S11 Pb3 94.54(7) . 3_566 ? 
Pb3 S11 Pb3 80.56(5) 1_545 3_566 ? 
Sb5 S12 Sb3 102.98(8) . . ? 
 
_diffrn_measured_fraction_theta_max    0.996 
_diffrn_reflns_theta_full              32.63 
_diffrn_measured_fraction_theta_full   0.996 
_refine_diff_density_max    1.854 
_refine_diff_density_min   -2.513 
_refine_diff_density_rms    0.421 
