data_HfRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   7.46
_cell_length_c   4.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRh2
_chemical_formula_sum   'Hf2 Rh4'
_cell_volume   97.13
_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  0.0  0.0  1.0
  Hf  Hf1  1  0.51  0.73  0.16  1.0
  Rh  Rh2  1  0.61  0.52  0.0  1.0
  Rh  Rh3  1  0.9  0.25  0.16  1.0
  Rh  Rh4  1  0.12  0.21  0.16  1.0
  Rh  Rh5  1  0.41  0.95  0.0  1.0

data_HfRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.31
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRh2
_chemical_formula_sum   'Hf2 Rh4'
_cell_volume   97.13
_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  0.0  0.0  1.0
  Hf  Hf1  1  0.49  0.84  0.27  1.0
  Rh  Rh2  1  0.1  0.84  0.75  1.0
  Rh  Rh3  1  0.39  -0.0  0.48  1.0
  Rh  Rh4  1  0.59  -0.0  0.05  1.0
  Rh  Rh5  1  0.88  0.84  0.79  1.0

Hf Hf Rh Rh Rh Rh
Hf Hf Rh Rh Rh Rh 0 5 o - o 1 5 o o o 1 2 o o o 3 4 + o o 