data_[Ba6Bi4Au4]
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 [12.4778]
_cell_length_b [5.0336]
_cell_length_c [8.7536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5118]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(BiAu)2]
_chemical_formula_sum '[Ba6 Bi4 Au4]'
_cell_volume [518.2220]
_cell_formula_units_Z [2]
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  0.1721  0.5000  0.6580  1
  Ba  Ba1  2  0.0000  0.5000  0.0000  1
  Bi  Bi2  4  0.0380  0.0000  0.3371  1
  Au  Au3  4  0.1951  0.0000  0.9437  1
]