data_HfNbRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.39
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbRh2
_chemical_formula_sum   'Hf1 Nb1 Rh2'
_cell_volume   68.25
_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  0.64  0.69  0.9  1.0
  Nb  Nb1  1  0.0  0.0  0.82  1.0
  Rh  Rh2  1  0.64  0.69  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.63  1.0

data_HfNbRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.39
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbRh2
_chemical_formula_sum   'Hf1 Nb1 Rh2'
_cell_volume   68.25
_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  0.64  0.69  0.9  1.0
  Nb  Nb1  1  0.0  0.0  0.82  1.0
  Rh  Rh2  1  0.0  0.0  0.63  1.0
  Rh  Rh3  1  0.64  0.69  0.0  1.0

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