data_[Ba4Bi5Au2]
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 [P2/m]
_cell_length_a [8.2987]
_cell_length_b [5.0113]
_cell_length_c [9.7837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba4Bi5Au2]
_chemical_formula_sum '[Ba4 Bi5 Au2]'
_cell_volume [406.8400]
_cell_formula_units_Z [1]
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  2  0.2275  0.5000  0.1328  1
  Ba  Ba1  2  0.2498  0.5000  0.6122  1
  Bi  Bi2  2  0.1133  0.0000  0.8720  1
  Bi  Bi3  2  0.4303  0.0000  0.3436  1
  Bi  Bi4  1  0.5000  0.0000  0.0000  1
  Au  Au5  2  0.0859  0.0000  0.3812  1
]