data_FeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   2.63
_cell_length_c   12.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRh
_chemical_formula_sum   'Fe3 Rh3'
_cell_volume   79.97
_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  0.38  0.0  0.92  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.38  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.14  1.0
  Rh  Rh4  1  0.38  0.0  0.46  1.0
  Rh  Rh5  1  0.0  0.0  0.79  1.0

data_FeRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   2.63
_cell_length_c   12.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRh
_chemical_formula_sum   'Fe3 Rh3'
_cell_volume   79.97
_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  0.38  0.0  0.0  1.0
  Fe  Fe2  1  0.38  0.0  0.92  1.0
  Rh  Rh3  1  0.0  0.0  0.14  1.0
  Rh  Rh4  1  0.0  0.0  0.79  1.0
  Rh  Rh5  1  0.38  0.0  0.46  1.0

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