data_[Ba4Bi10Au2]
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 [I4mm]
_cell_length_a [7.2486]
_cell_length_b [7.2486]
_cell_length_c [10.9266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Ba2Bi5Au]
_chemical_formula_sum '[Ba4 Bi10 Au2]'
_cell_volume [574.1088]
_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  0.0000  0.5000  0.2612  1.0
  Bi  Bi1  8  0.2331  0.2331  0.5097  1.0
  Bi  Bi2  2  0.0000  0.0000  0.2410  1.0
  Au  Au3  2  0.0000  0.0000  0.9210  1.0
]