data_[Cr2Pb2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.6389]
_cell_length_b [3.2571]
_cell_length_c [8.7710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CrPbS2]
_chemical_formula_sum '[Cr2 Pb2 S4]'
_cell_volume [157.0200]
_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
[
  Cr  Cr0  2  0.4473  0.5000  0.2751  1
  Pb  Pb1  2  0.4563  0.0000  0.7745  1
  S  S2  2  0.2237  0.0000  0.1116  1
  S  S3  2  0.3365  0.0000  0.4359  1
]