data_Fe2PRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.26
_cell_angle_alpha   109.24
_cell_angle_beta   109.24
_cell_angle_gamma   38.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2PRh
_chemical_formula_sum   'Fe2 P1 Rh1'
_cell_volume   48.47
_cell_formula_units_Z   1
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  0.9  0.0  0.82  1.0
  Fe  Fe1  1  0.76  0.0  0.04  1.0
  P  P2  1  0.54  0.0  0.93  1.0
  Rh  Rh3  1  0.08  0.0  0.21  1.0

data_Fe2PRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.26
_cell_length_c   4.44
_cell_angle_alpha   109.24
_cell_angle_beta   109.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2PRh
_chemical_formula_sum   'Fe2 P1 Rh1'
_cell_volume   48.47
_cell_formula_units_Z   1
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  0.04  0.76  1.0
  Fe  Fe1  1  0.0  0.82  0.9  1.0
  P  P2  1  0.0  0.93  0.54  1.0
  Rh  Rh3  1  0.0  0.21  0.08  1.0

Fe Fe P Rh
Fe Fe P Rh 0 1 o o + 0 3 + o + 1 2 o o - 1 3 + o o 