data_Fe2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   4.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   153.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Rh
_chemical_formula_sum   'Fe4 Rh2'
_cell_volume   78.38
_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  0.48  0.87  0.05  1.0
  Fe  Fe1  1  0.48  0.13  0.16  1.0
  Fe  Fe2  1  0.48  0.17  0.05  1.0
  Fe  Fe3  1  0.48  0.83  0.16  1.0
  Rh  Rh4  1  0.48  0.74  0.05  1.0
  Rh  Rh5  1  0.48  0.26  0.16  1.0

data_Fe2Rh
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.95
_cell_length_b   4.21
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   103.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Fe2Rh
_chemical_formula_sum   'Fe4 Rh2'
_cell_volume   78.38
_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  0.13  0.45  0.63  1.0
  Fe  Fe1  2  0.17  0.55  0.67  1.0
  Rh  Rh2  2  0.26  0.45  0.76  1.0

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