data_Fe2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   3.47
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Rh
_chemical_formula_sum   'Fe4 Rh2'
_cell_volume   76.53
_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  1  0.0  0.0  0.01  1.0
  Fe  Fe1  1  0.37  0.73  0.67  1.0
  Fe  Fe2  1  0.0  0.0  0.4  1.0
  Fe  Fe3  1  0.37  0.73  0.06  1.0
  Rh  Rh4  1  0.0  0.0  0.78  1.0
  Rh  Rh5  1  0.37  0.73  0.29  1.0

data_Fe2Rh
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.73
_cell_length_b   3.47
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Fe2Rh
_chemical_formula_sum   'Fe4 Rh2'
_cell_volume   76.53
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.18  0.37  0.63  1.0
  Fe  Fe1  2  0.18  0.37  0.03  1.0
  Rh  Rh2  2  0.18  0.37  0.26  1.0

Fe Fe Fe Fe Rh Rh
Fe Fe Fe Fe Rh Rh 0 3 o - o 0 4 o o - 1 4 o + o 2 5 o - o 3 5 o o o 