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 [P1]
_cell_length_a [2.6740]
_cell_length_b [5.1192]
_cell_length_c [6.3312]
_cell_angle_alpha [77.9014]
_cell_angle_beta [78.8215]
_cell_angle_gamma [75.7101]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [FeRh]
_chemical_formula_sum '[Fe3 Rh3]'
_cell_volume [81.1922]
_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  1  0.0188  0.4822  0.0002  1.0
  Fe  Fe1  1  0.3973  0.1721  0.3188  1.0
  Fe  Fe2  1  0.9263  0.9977  0.0091  1.0
  Rh  Rh3  1  0.3054  0.6808  0.3299  1.0
  Rh  Rh4  1  0.5511  0.8415  0.6866  1.0
  Rh  Rh5  1  0.8011  0.3257  0.6554  1.0
]