data_[Fe8Rh8]
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 [P2_12_12_1]
_cell_length_a [4.6043]
_cell_length_b [5.3641]
_cell_length_c [8.6989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [FeRh]
_chemical_formula_sum '[Fe8 Rh8]'
_cell_volume [214.8447]
_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
[
  Fe  Fe0  4  0.0024  0.3725  0.2485  1.0
  Fe  Fe1  4  0.1583  0.1264  0.5021  1.0
  Rh  Rh2  4  0.0091  0.8739  0.7512  1.0
  Rh  Rh3  4  0.1632  0.6189  0.4982  1.0
]