data_[Ba20Pt4Au8F4]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6189]
_cell_length_b [19.7919]
_cell_length_c [14.6142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba5PtAu2F]
_chemical_formula_sum '[Ba20 Pt4 Au8 F4]'
_cell_volume [1335.9900]
_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  0.0400  0.0069  1.0
  Ba  Ba1  4  0.0000  0.2943  0.6747  1.0
  Ba  Ba2  4  0.0000  0.3084  0.3749  1.0
  Ba  Ba3  4  0.0000  0.3514  0.0180  1.0
  Ba  Ba4  4  0.0000  0.4972  0.7660  1.0
  Pt  Pt5  4  0.0000  0.1968  0.0262  1.0
  Au  Au6  4  0.0000  0.1140  0.6934  1.0
  Au  Au7  4  0.0000  0.1236  0.3375  1.0
  F  F8  4  0.0000  0.4453  0.4264  1.0
]