data_[Cd2Pt4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.8880]
_cell_length_b [4.8888]
_cell_length_c [9.8925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CdPt2Au]
_chemical_formula_sum '[Cd2 Pt4 Au2]'
_cell_volume [139.6700]
_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
[
  Cd  Cd0  2  0.0000  0.5000  0.2560  1.0
  Pt  Pt1  2  0.0000  0.0000  0.0055  1.0
  Pt  Pt2  2  0.0000  0.5000  0.7442  1.0
  Au  Au3  2  0.0000  0.0000  0.4943  1.0
]