data_[Bi16Pd4Rh8]
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 [Imm2]
_cell_length_a [8.0776]
_cell_length_b [8.8730]
_cell_length_c [9.5229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Bi4PdRh2]
_chemical_formula_sum '[Bi16 Pd4 Rh8]'
_cell_volume [682.5262]
_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  0.0000  0.2054  0.7041  1.0
  Bi  Bi1  4  0.0000  0.3116  0.1128  1.0
  Bi  Bi2  4  0.2118  0.0000  0.3122  1.0
  Bi  Bi3  4  0.2119  0.5000  0.3948  1.0
  Pd  Pd4  2  0.0000  0.0000  0.0678  1.0
  Pd  Pd5  2  0.0000  0.5000  0.6303  1.0
  Rh  Rh6  4  0.0000  0.2338  0.4107  1.0
  Rh  Rh7  4  0.2126  0.0000  0.5914  1.0
]