data_[Ba12Cd4Pt2Au2]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2173]
_cell_length_b [9.0840]
_cell_length_c [14.5818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Cd2PtAu]
_chemical_formula_sum '[Ba12 Cd4 Pt2 Au2]'
_cell_volume [905.7914]
_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  0.1146  0.5291  0.2439  1.0
  Ba  Ba1  4  0.2269  0.1923  0.0608  1.0
  Ba  Ba2  4  0.3790  0.6773  0.0595  1.0
  Cd  Cd3  4  0.3027  0.6099  0.7505  1.0
  Pt  Pt4  2  0.0000  0.0000  0.5000  1.0
  Au  Au5  2  0.5000  0.0000  0.0000  1.0
]