data_[Bi12Pd6Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4263]
_cell_length_b [6.7447]
_cell_length_c [12.1685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.5110]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Bi6Pd3Rh]
_chemical_formula_sum '[Bi12 Pd6 Rh2]'
_cell_volume [489.8787]
_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  0.0883  0.1505  0.4211  1.0
  Bi  Bi1  4  0.2437  0.6412  0.4108  1.0
  Bi  Bi2  4  0.4234  0.5342  0.7445  1.0
  Pd  Pd3  4  0.2042  0.1807  0.7397  1.0
  Pd  Pd4  2  0.5000  0.0000  0.5000  1.0
  Rh  Rh5  2  0.0000  0.0000  0.0000  1.0
]