data_HfIr2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.79
_cell_angle_alpha   100.8
_cell_angle_beta   100.8
_cell_angle_gamma   34.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIr2Rh
_chemical_formula_sum   'Hf1 Ir2 Rh1'
_cell_volume   63.19
_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  0.17  0.0  0.35  1.0
  Ir  Ir1  1  0.6  0.0  0.57  1.0
  Ir  Ir2  1  0.74  0.0  0.12  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_HfIr2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.79
_cell_length_c   4.86
_cell_angle_alpha   100.8
_cell_angle_beta   107.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIr2Rh
_chemical_formula_sum   'Hf1 Ir2 Rh1'
_cell_volume   63.19
_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  0.0  0.35  0.17  1.0
  Ir  Ir1  1  0.0  0.12  0.74  1.0
  Ir  Ir2  1  0.0  0.57  0.6  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

Hf Ir Ir Rh
Hf Ir Ir Rh 0 3 o o o 0 1 o o o 1 2 o o o 1 2 o o + 1 3 + o + 2 3 + o o 