data_[Cd40Bi24Pt96]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [15.8407]
_cell_length_b [15.8407]
_cell_length_c [15.8407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Cd5(BiPt4)3]
_chemical_formula_sum '[Cd40 Bi24 Pt96]'
_cell_volume [3974.9059]
_cell_formula_units_Z [8]
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  24  0.0000  0.2500  0.3750  1
  Cd  Cd1  16  0.0000  0.0000  0.0000  1
  Bi  Bi2  24  0.0000  0.2500  0.1250  1
  Pt  Pt3  96  0.0009  0.0732  0.6516  1
]