data_[Cd6Pt1Au1]
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 [P-1]
_cell_length_a [5.0791]
_cell_length_b [5.9319]
_cell_length_c [6.7308]
_cell_angle_alpha [102.8677]
_cell_angle_beta [111.0382]
_cell_angle_gamma [101.0459]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cd6PtAu]
_chemical_formula_sum '[Cd6 Pt1 Au1]'
_cell_volume [176.1083]
_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
[
  Cd  Cd0  2  0.1606  0.2215  0.7031  1.0
  Cd  Cd1  2  0.2486  0.5076  0.2462  1.0
  Cd  Cd2  2  0.3380  0.7734  0.7810  1.0
  Pt  Pt3  1  0.5000  0.0000  0.5000  1.0
  Au  Au4  1  0.0000  0.0000  0.0000  1.0
]