data_HfPdRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.79
_cell_angle_alpha   103.27
_cell_angle_beta   103.27
_cell_angle_gamma   36.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPdRh2
_chemical_formula_sum   'Hf1 Pd1 Rh2'
_cell_volume   64.39
_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  0.99  0.0  0.32  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.63  0.0  0.16  1.0
  Rh  Rh3  1  0.36  0.0  0.48  1.0

data_HfPdRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.79
_cell_length_c   4.82
_cell_angle_alpha   103.27
_cell_angle_beta   108.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPdRh2
_chemical_formula_sum   'Hf1 Pd1 Rh2'
_cell_volume   64.39
_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  0.32  0.99  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.16  0.63  1.0
  Rh  Rh3  1  0.0  0.48  0.36  1.0

Hf Pd Rh Rh
Hf Pd Rh Rh 0 2 o o o 0 1 + o o 0 3 + o o 1 2 - o o 