data_[Cr1Cd1Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Cd  1.6900  1.5500  1.0900
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.8103]
_cell_length_b [2.8103]
_cell_length_c [8.0420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [CrCdPt2]
_chemical_formula_sum '[Cr1 Cd1 Pt2]'
_cell_volume [63.5153]
_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
[
  Cr  Cr0  1  0.5000  0.5000  0.7733  1
  Cd  Cd1  1  0.0000  0.0000  0.5056  1
  Pt  Pt2  1  0.0000  0.0000  0.9806  1
  Pt  Pt3  1  0.5000  0.5000  0.2405  1
]