data_[Ba4Bi4Au12]
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 [C2/m]
_cell_length_a [12.4873]
_cell_length_b [6.8739]
_cell_length_c [6.3883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaBiAu3]
_chemical_formula_sum '[Ba4 Bi4 Au12]'
_cell_volume [547.8411]
_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  0.2491  0.5000  0.7472  1
  Bi  Bi1  4  0.0000  0.2506  0.0000  1
  Au  Au2  4  0.0000  0.2847  0.5000  1
  Au  Au3  4  0.1315  0.0000  0.7301  1
  Au  Au4  4  0.1515  0.5000  0.2470  1
]