data_[Ba12Cd4Bi4]
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 [20.8570]
_cell_length_b [5.3018]
_cell_length_c [8.9981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3CdBi]
_chemical_formula_sum '[Ba12 Cd4 Bi4]'
_cell_volume [989.3491]
_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  0.0339  0.5000  0.2759  1
  Ba  Ba1  4  0.1522  0.0000  0.9805  1
  Ba  Ba2  4  0.1908  0.5000  0.6174  1
  Cd  Cd3  4  0.0640  0.0000  0.5928  1
  Bi  Bi4  4  0.2047  0.5000  0.2199  1
]