data_[Fe3Rh3]
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 [P-1]
_cell_length_a [2.6669]
_cell_length_b [5.1531]
_cell_length_c [6.2167]
_cell_angle_alpha [98.7284]
_cell_angle_beta [100.8711]
_cell_angle_gamma [102.3360]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [FeRh]
_chemical_formula_sum '[Fe3 Rh3]'
_cell_volume [80.3049]
_cell_formula_units_Z [3]
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  0.2555  0.1689  0.1761  1.0
  Fe  Fe1  1  0.0000  0.0000  0.5000  1.0
  Rh  Rh2  2  0.3980  0.6911  0.1595  1.0
  Rh  Rh3  1  0.0000  0.5000  0.5000  1.0
]