data_[Ba3Cd36Bi18]
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 [R-3m]
_cell_length_a [14.5100]
_cell_length_b [14.5100]
_cell_length_c [9.5084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba(Cd2Bi)6]
_chemical_formula_sum '[Ba3 Cd36 Bi18]'
_cell_volume [1733.6926]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  18  0.0000  0.4011  0.5000  1.0
  Cd  Cd2  18  0.0697  0.1394  0.3491  1.0
  Bi  Bi3  18  0.0073  0.5037  0.7995  1.0
]