data_[Cd2Bi2S4I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8848]
_cell_length_b [4.2609]
_cell_length_c [11.1102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0253]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CdBiS2I]
_chemical_formula_sum '[Cd2 Bi2 S4 I2]'
_cell_volume [354.9369]
_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  0.4934  0.7500  0.8601  1.0
  Bi  Bi1  2  0.0337  0.2500  0.6646  1.0
  S  S2  2  0.1927  0.7500  0.5926  1.0
  S  S3  2  0.3302  0.2500  0.8850  1.0
  I  I4  2  0.2599  0.2500  0.2815  1.0
]