data_[Ba4Bi4Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.7764]
_cell_length_b [5.8366]
_cell_length_c [11.6404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaBiAu5]
_chemical_formula_sum '[Ba4 Bi4 Au20]'
_cell_volume [664.2118]
_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  0.2484  0.2500  0.0607  1
  Bi  Bi1  4  0.1372  0.7500  0.8615  1
  Au  Au2  8  0.0743  0.0033  0.3081  1
  Au  Au3  4  0.0637  0.7500  0.0962  1
  Au  Au4  4  0.0806  0.2500  0.5180  1
  Au  Au5  4  0.1787  0.2500  0.7506  1
]