data_[Sn2Pb2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.1767]
_cell_length_b [4.2278]
_cell_length_c [17.0710]
_cell_angle_alpha [92.6599]
_cell_angle_beta [94.3420]
_cell_angle_gamma [90.0588]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SnPbS2]
_chemical_formula_sum '[Sn2 Pb2 S4]'
_cell_volume [300.2551]
_cell_formula_units_Z [2]
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
[
  Sn  Sn0  1  0.6749  0.3867  0.2444  1.0
  Sn  Sn1  1  0.7764  0.1344  0.5877  1.0
  Pb  Pb2  1  0.2232  0.8910  0.4138  1.0
  Pb  Pb3  1  0.3294  0.6170  0.7591  1.0
  S  S4  1  0.1695  0.8970  0.2550  1.0
  S  S5  1  0.2839  0.5537  0.6009  1.0
  S  S6  1  0.7159  0.4216  0.3973  1.0
  S  S7  1  0.8267  0.0986  0.7417  1.0
]