data_[Cd2Cu2Bi2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1673]
_cell_length_b [3.9648]
_cell_length_c [8.9137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CdCuBiS3]
_chemical_formula_sum '[Cd2 Cu2 Bi2 S6]'
_cell_volume [276.7209]
_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
[
  Cd  Cd0  2  0.1872  0.2500  0.5973  1.0
  Cu  Cu1  2  0.4304  0.7500  0.9074  1.0
  Bi  Bi2  2  0.2008  0.2500  0.1609  1.0
  S  S3  2  0.1257  0.7500  0.3897  1.0
  S  S4  2  0.1491  0.7500  0.9405  1.0
  S  S5  2  0.4767  0.2500  0.7923  1.0
]