data_[Cd20Bi8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.7341]
_cell_length_b [5.6460]
_cell_length_c [7.5048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4082]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd5Bi2]
_chemical_formula_sum '[Cd20 Bi8]'
_cell_volume [750.7601]
_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  8  0.0675  0.1227  0.0845  1.0
  Cd  Cd1  8  0.2147  0.1497  0.8211  1.0
  Cd  Cd2  4  0.0000  0.3593  0.7500  1.0
  Bi  Bi3  8  0.1414  0.3474  0.4235  1.0
]