data_[Cu2As2Pb2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3780]
_cell_length_b [3.7935]
_cell_length_c [8.6767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CuAsPbS3]
_chemical_formula_sum '[Cu2 As2 Pb2 S6]'
_cell_volume [270.6139]
_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
[
  Cu  Cu0  2  0.0741  0.2500  0.5918  1.0
  As  As1  2  0.3395  0.7500  0.8723  1.0
  Pb  Pb2  2  0.1749  0.2500  0.2559  1.0
  S  S3  2  0.1405  0.2500  0.8646  1.0
  S  S4  2  0.2152  0.7500  0.5043  1.0
  S  S5  2  0.4230  0.7500  0.1419  1.0
]