data_[Ba4Cd12Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1170]
_cell_length_b [5.0326]
_cell_length_c [9.9551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4198]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCd3Bi2]
_chemical_formula_sum '[Ba4 Cd12 Bi8]'
_cell_volume [782.7160]
_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
[
  Ba  Ba0  4  0.1439  0.0000  0.2038  1.0
  Cd  Cd1  4  0.0801  0.0000  0.7522  1.0
  Cd  Cd2  4  0.0836  0.5000  0.5188  1.0
  Cd  Cd3  4  0.2203  0.5000  0.0206  1.0
  Bi  Bi4  4  0.0219  0.5000  0.8535  1.0
  Bi  Bi5  4  0.1906  0.0000  0.6061  1.0
]