data_Hf3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Rh
_chemical_formula_sum   'Hf6 Rh2'
_cell_volume   157.66
_cell_formula_units_Z   2
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  0.79  0.8  1.0
  Hf  Hf1  1  1.0  0.4  0.27  1.0
  Hf  Hf2  1  0.45  0.3  0.8  1.0
  Hf  Hf3  1  0.55  0.89  0.27  1.0
  Hf  Hf4  1  0.55  0.3  0.8  1.0
  Hf  Hf5  1  0.44  0.89  0.27  1.0
  Rh  Rh6  1  1.0  0.73  0.8  1.0
  Rh  Rh7  1  0.0  0.46  0.27  1.0

data_Hf3Rh
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.07
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Hf3Rh
_chemical_formula_sum   'Hf6 Rh2'
_cell_volume   157.66
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.23  0.05  0.8  1.0
  Hf  Hf1  2  0.23  0.5  0.31  1.0
  Hf  Hf2  2  0.23  0.95  0.8  1.0
  Rh  Rh3  2  0.23  0.5  0.36  1.0

Hf Hf Hf Hf Hf Hf Rh Rh