data_[Fe4Rh2]
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 [2.6349]
_cell_length_b [4.9190]
_cell_length_c [6.4013]
_cell_angle_alpha [77.3577]
_cell_angle_beta [81.6412]
_cell_angle_gamma [78.7629]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Fe2Rh]
_chemical_formula_sum '[Fe4 Rh2]'
_cell_volume [78.9440]
_cell_formula_units_Z [2]
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  0.2613  0.2599  0.0027  1.0
  Fe  Fe1  2  0.4286  0.4189  0.3310  1.0
  Rh  Rh2  2  0.1022  0.0880  0.6753  1.0
]