data_HfP2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfP2Rh
_chemical_formula_sum   'Hf1 P2 Rh1'
_cell_volume   59.71
_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
  Hf  Hf0  1  0.19  0.19  0.0  1.0
  P  P1  1  0.19  0.0  0.56  1.0
  P  P2  1  0.0  0.19  0.56  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_HfP2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfP2Rh
_chemical_formula_sum   'Hf2 P4 Rh2'
_cell_volume   119.41
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Hf  Hf0  2  0.19  0.0  0.0  1.0
  P  P1  4  0.09  0.09  0.56  1.0
  Rh  Rh2  2  0.0  0.0  0.0  1.0

Hf P P Rh
Hf P P Rh 0 3 o o o 1 2 o o o 