data_FeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.35
_cell_angle_alpha   103.39
_cell_angle_beta   103.39
_cell_angle_gamma   26.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRh
_chemical_formula_sum   'Fe3 Rh3'
_cell_volume   79.61
_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  0.52  0.0  0.32  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.59  0.0  0.87  1.0
  Rh  Rh3  1  0.18  0.0  0.65  1.0
  Rh  Rh4  1  0.36  0.0  0.6  1.0
  Rh  Rh5  1  0.93  0.0  0.54  1.0

data_FeRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   5.35
_cell_length_c   5.85
_cell_angle_alpha   103.39
_cell_angle_beta   103.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRh
_chemical_formula_sum   'Fe3 Rh3'
_cell_volume   79.61
_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  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.32  0.52  1.0
  Fe  Fe2  1  0.0  0.87  0.59  1.0
  Rh  Rh3  1  0.0  0.54  0.93  1.0
  Rh  Rh4  1  0.0  0.6  0.36  1.0
  Rh  Rh5  1  0.0  0.65  0.18  1.0

Fe Fe Fe Rh Rh Rh