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 [8.3058]
_cell_length_b [5.0205]
_cell_length_c [9.6996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5508]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba4Bi5Au2]
_chemical_formula_sum '[Ba4 Bi5 Au2]'
_cell_volume [404.4516]
_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  0.2249  0.5000  0.8672  1.0
  Ba  Ba1  2  0.2499  0.5000  0.3897  1.0
  Bi  Bi2  2  0.1183  0.0000  0.1303  1.0
  Bi  Bi3  2  0.4373  0.0000  0.6587  1.0
  Bi  Bi4  1  0.5000  0.0000  0.0000  1.0
  Au  Au5  2  0.0891  0.0000  0.6210  1.0
]