data_[Bi20Rh12Au4]
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 [C2/m]
_cell_length_a [12.2114]
_cell_length_b [9.0567]
_cell_length_c [9.8195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6682]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi5Rh3Au]
_chemical_formula_sum '[Bi20 Rh12 Au4]'
_cell_volume [952.8544]
_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  8  0.1788  0.2112  0.6092  1
  Bi  Bi1  4  0.0000  0.2945  0.0000  1
  Bi  Bi2  4  0.0550  0.5000  0.3573  1
  Bi  Bi3  4  0.2229  0.0000  0.0054  1
  Rh  Rh4  4  0.1728  0.5000  0.1804  1
  Rh  Rh5  4  0.1756  0.5000  0.6914  1
  Rh  Rh6  2  0.0000  0.0000  0.0000  1
  Rh  Rh7  2  0.0000  0.0000  0.5000  1
  Au  Au8  4  0.1005  0.0000  0.3099  1
]