data_[Bi12Rh2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4842]
_cell_length_b [6.9171]
_cell_length_c [12.0054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.9117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Bi6RhAu2]
_chemical_formula_sum '[Bi12 Rh2 Au4]'
_cell_volume [490.3451]
_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
[
  Bi  Bi0  4  0.1034  0.0422  0.2294  1.0
  Bi  Bi1  4  0.2229  0.1642  0.5545  1.0
  Bi  Bi2  4  0.3975  0.6680  0.5809  1.0
  Rh  Rh3  2  0.5000  0.0000  0.5000  1.0
  Au  Au4  4  0.2655  0.6505  0.2530  1.0
]