data_[Ag8Pb12S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  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 [12.9970]
_cell_length_b [10.3392]
_cell_length_c [6.7807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ag2Pb3S4]
_chemical_formula_sum '[Ag8 Pb12 S16]'
_cell_volume [906.7506]
_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
[
  Ag  Ag0  8  0.2141  0.3641  0.1123  1.0
  Pb  Pb1  8  0.1305  0.1284  0.4105  1.0
  Pb  Pb2  4  0.0000  0.3834  0.7500  1.0
  S  S3  8  0.0979  0.1619  0.9828  1.0
  S  S4  8  0.1535  0.4078  0.4593  1.0
]