data_[Ba4Cd1Bi8]
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 [Pmm2]
_cell_length_a [4.7892]
_cell_length_b [5.2679]
_cell_length_c [19.1760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ba4CdBi8]
_chemical_formula_sum '[Ba4 Cd1 Bi8]'
_cell_volume [483.7909]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.0860  1
  Ba  Ba1  1  0.0000  0.5000  0.6091  1
  Ba  Ba2  1  0.5000  0.0000  0.8917  1
  Ba  Ba3  1  0.5000  0.5000  0.3939  1
  Cd  Cd4  1  0.0000  0.0000  0.3236  1
  Bi  Bi5  1  0.0000  0.0000  0.4766  1
  Bi  Bi6  1  0.0000  0.0000  0.7420  1
  Bi  Bi7  1  0.0000  0.5000  0.2323  1
  Bi  Bi8  1  0.0000  0.5000  0.9286  1
  Bi  Bi9  1  0.5000  0.0000  0.2302  1
  Bi  Bi10  1  0.5000  0.0000  0.5933  1
  Bi  Bi11  1  0.5000  0.5000  0.0395  1
  Bi  Bi12  1  0.5000  0.5000  0.7562  1
]