data_[Mn40Bi32Rh16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Bi  2.0200  1.6000  1.0350
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [12.3043]
_cell_length_b [12.3043]
_cell_length_c [12.3043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Mn5(Bi2Rh)2]
_chemical_formula_sum '[Mn40 Bi32 Rh16]'
_cell_volume [1862.8279]
_cell_formula_units_Z [8]
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
[
  Mn  Mn0  24  0.0007  0.2500  0.2500  1
  Mn  Mn1  16  0.0896  0.0896  0.4104  1
  Bi  Bi2  24  0.0000  0.0000  0.2111  1
  Bi  Bi3  4  0.2500  0.2500  0.2500  1
  Bi  Bi4  4  0.2500  0.2500  0.7500  1
  Rh  Rh5  16  0.1211  0.1211  0.6211  1
]