data_[Ba6Cd4Pt8]
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 [C2/m]
_cell_length_a [11.4239]
_cell_length_b [4.7417]
_cell_length_c [9.2705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(CdPt2)2]
_chemical_formula_sum '[Ba6 Cd4 Pt8]'
_cell_volume [493.1537]
_cell_formula_units_Z [2]
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  0.1242  0.5000  0.3814  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Cd  Cd2  4  0.1796  0.5000  0.7790  1
  Pt  Pt3  4  0.0836  0.0000  0.6286  1
  Pt  Pt4  4  0.2418  0.5000  0.0879  1
]