data_[Ba20Pt4Au8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5867]
_cell_length_b [19.8636]
_cell_length_c [14.3736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba5PtAu2O]
_chemical_formula_sum '[Ba20 Pt4 Au8 O4]'
_cell_volume [1309.5517]
_cell_formula_units_Z [4]
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  0.0000  0.0330  0.0010  1.0
  Ba  Ba1  4  0.0000  0.2905  0.6831  1.0
  Ba  Ba2  4  0.0000  0.3239  0.3825  1.0
  Ba  Ba3  4  0.0000  0.3470  0.0145  1.0
  Ba  Ba4  4  0.0000  0.4938  0.7677  1.0
  Pt  Pt5  4  0.0000  0.1930  0.0357  1.0
  Au  Au6  4  0.0000  0.1118  0.6839  1.0
  Au  Au7  4  0.0000  0.1292  0.3354  1.0
  O  O8  4  0.0000  0.4519  0.4202  1.0
]