data_HfRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.45
_cell_angle_alpha   112.33
_cell_angle_beta   112.33
_cell_angle_gamma   45.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRh
_chemical_formula_sum   'Hf3 Rh3'
_cell_volume   108.33
_cell_formula_units_Z   3
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  0.1  0.0  0.31  1.0
  Hf  Hf1  1  0.88  0.0  0.48  1.0
  Hf  Hf2  1  0.84  0.0  0.66  1.0
  Rh  Rh3  1  0.21  0.0  0.84  1.0
  Rh  Rh4  1  0.0  0.0  0.0  1.0
  Rh  Rh5  1  0.74  0.0  0.12  1.0

data_HfRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   5.45
_cell_length_c   5.53
_cell_angle_alpha   112.33
_cell_angle_beta   112.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRh
_chemical_formula_sum   'Hf3 Rh3'
_cell_volume   108.33
_cell_formula_units_Z   3
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  0.31  0.1  1.0
  Hf  Hf1  1  0.0  0.48  0.88  1.0
  Hf  Hf2  1  0.0  0.66  0.84  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0
  Rh  Rh4  1  0.0  0.12  0.74  1.0
  Rh  Rh5  1  0.0  0.84  0.21  1.0

Hf Hf Hf Rh Rh Rh