data_[Bi12Rh4Au4]
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 [7.1704]
_cell_length_b [7.5004]
_cell_length_c [9.9923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0317]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Bi3RhAu]
_chemical_formula_sum '[Bi12 Rh4 Au4]'
_cell_volume [536.6410]
_cell_formula_units_Z [4]
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  0.0713  0.5931  0.6606  1.0
  Bi  Bi1  4  0.2398  0.0608  0.4946  1.0
  Bi  Bi2  4  0.4048  0.5827  0.3676  1.0
  Rh  Rh3  4  0.0751  0.7479  0.4132  1.0
  Au  Au4  4  0.2831  0.2470  0.7478  1.0
]