data_[Ba12Cd4Pt4]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [11.6206]
_cell_length_b [16.5045]
_cell_length_c [4.6043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ba3CdPt]
_chemical_formula_sum '[Ba12 Cd4 Pt4]'
_cell_volume [883.0772]
_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  8  0.1932  0.3735  0.0000  1.0
  Ba  Ba1  4  0.0000  0.1756  0.5000  1.0
  Cd  Cd2  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd3  2  0.0000  0.5000  0.5000  1.0
  Pt  Pt4  4  0.2500  0.2500  0.5000  1.0
]