data_[Ba9Bi3Au24]
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 [R3m]
_cell_length_a [5.8901]
_cell_length_b [5.8901]
_cell_length_c [29.8197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba3BiAu8]
_chemical_formula_sum '[Ba9 Bi3 Au24]'
_cell_volume [895.9494]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3765  1
  Ba  Ba1  3  0.0000  0.0000  0.5049  1
  Ba  Ba2  3  0.0000  0.0000  0.9937  1
  Bi  Bi3  3  0.0000  0.0000  0.8728  1
  Au  Au4  9  0.0046  0.5023  0.9384  1
  Au  Au5  9  0.1674  0.3348  0.7703  1
  Au  Au6  3  0.0000  0.0000  0.1880  1
  Au  Au7  3  0.0000  0.0000  0.6880  1
]