data_[Cd4Bi4I4]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.1586]
_cell_length_b [4.5361]
_cell_length_c [8.2317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdBiI]
_chemical_formula_sum '[Cd4 Bi4 I4]'
_cell_volume [456.5633]
_cell_formula_units_Z [4]
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  0.1195  0.0000  0.8822  1.0
  Cd  Cd1  2  0.3844  0.5000  0.5111  1.0
  Bi  Bi2  2  0.1329  0.0000  0.5398  1.0
  Bi  Bi3  2  0.2960  0.5000  0.7626  1.0
  I  I4  2  0.0572  0.5000  0.0359  1.0
  I  I5  2  0.3513  0.0000  0.2489  1.0
]