data_[Cd3Bi1I3]
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 [Pm]
_cell_length_a [7.9067]
_cell_length_b [4.9364]
_cell_length_c [8.1863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cd3BiI3]
_chemical_formula_sum '[Cd3 Bi1 I3]'
_cell_volume [319.1109]
_cell_formula_units_Z [1]
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  1  0.0387  0.0000  0.6680  1.0
  Cd  Cd1  1  0.0939  0.5000  0.1176  1.0
  Cd  Cd2  1  0.5775  0.5000  0.8741  1.0
  Bi  Bi3  1  0.9270  0.5000  0.8020  1.0
  I  I4  1  0.4225  0.0000  0.7040  1.0
  I  I5  1  0.4520  0.5000  0.1949  1.0
  I  I6  1  0.9804  0.0000  0.3060  1.0
]