data_[Sb32Pb28S76]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.9810]
_cell_length_b [11.7535]
_cell_length_c [22.5013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sb8Pb7S19]
_chemical_formula_sum '[Sb32 Pb28 S76]'
_cell_volume [3692.8018]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Sb  Sb0  8  0.0907  0.1808  0.3218  1
  Sb  Sb1  8  0.1075  0.4802  0.9430  1
  Sb  Sb2  8  0.1341  0.0934  0.5069  1
  Sb  Sb3  8  0.1479  0.3838  0.6091  1
  Pb  Pb4  8  0.0799  0.1716  0.8741  1
  Pb  Pb5  8  0.1456  0.2260  0.0671  1
  Pb  Pb6  8  0.1970  0.0675  0.6863  1
  Pb  Pb7  4  0.0000  0.4964  0.2500  1
  S  S8  8  0.0089  0.2891  0.9712  1
  S  S9  8  0.0381  0.4448  0.1226  1
  S  S10  8  0.0461  0.0095  0.0825  1
  S  S11  8  0.0824  0.2744  0.6905  1
  S  S12  8  0.1448  0.3187  0.2499  1
  S  S13  8  0.1815  0.3833  0.8604  1
  S  S14  8  0.2181  0.0338  0.3188  1
  S  S15  8  0.2234  0.0930  0.9775  1
  S  S16  8  0.2324  0.3322  0.4221  1
  S  S17  4  0.0000  0.0499  0.2500  1
]