data_[Ba1Cd1Pt2]
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 [P4mm]
_cell_length_a [3.6544]
_cell_length_b [3.6544]
_cell_length_c [7.5701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [BaCdPt2]
_chemical_formula_sum '[Ba1 Cd1 Pt2]'
_cell_volume [101.0956]
_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  0.4639  1
  Cd  Cd1  1  0.5000  0.5000  0.8070  1
  Pt  Pt2  1  0.0000  0.0000  0.0660  1
  Pt  Pt3  1  0.5000  0.5000  0.1630  1
]