data_[U4Bi8Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6085]
_cell_length_b [4.6085]
_cell_length_c [19.3912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [U4Bi8Au3]
_chemical_formula_sum '[U4 Bi8 Au3]'
_cell_volume [411.8334]
_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
[
  U  U0  2  0.0000  0.5000  0.1141  1
  U  U1  2  0.0000  0.5000  0.6190  1
  Bi  Bi2  2  0.0000  0.0000  0.2455  1
  Bi  Bi3  2  0.0000  0.5000  0.3971  1
  Bi  Bi4  2  0.0000  0.5000  0.9107  1
  Bi  Bi5  2  0.5000  0.5000  0.2469  1
  Au  Au6  1  0.0000  0.0000  0.0000  1
  Au  Au7  1  0.0000  0.0000  0.5000  1
  Au  Au8  1  0.5000  0.5000  0.5000  1
]