data_[Fe6Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.4835]
_cell_length_b [3.6942]
_cell_length_c [5.3646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9838]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FeRh]
_chemical_formula_sum '[Fe6 Rh6]'
_cell_volume [159.9115]
_cell_formula_units_Z [6]
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
[
  Fe  Fe0  2  0.0019  0.0000  0.4984  1.0
  Fe  Fe1  2  0.3316  0.0000  0.1664  1.0
  Fe  Fe2  2  0.4980  0.5000  1.0000  1.0
  Rh  Rh3  2  0.1619  0.5000  0.3294  1.0
  Rh  Rh4  2  0.1676  0.5000  0.8372  1.0
  Rh  Rh5  2  0.3390  0.0000  0.6686  1.0
]