data_HfRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   4.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   145.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRh2
_chemical_formula_sum   'Hf2 Rh4'
_cell_volume   96.91
_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  0.93  0.03  0.01  1.0
  Hf  Hf1  1  0.93  0.97  0.03  1.0
  Rh  Rh2  1  0.93  0.96  0.01  1.0
  Rh  Rh3  1  0.93  0.04  0.03  1.0
  Rh  Rh4  1  0.93  0.08  0.01  1.0
  Rh  Rh5  1  0.93  0.92  0.03  1.0

data_HfRh2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.87
_cell_length_b   4.04
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   107.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfRh2
_chemical_formula_sum   'Hf2 Rh4'
_cell_volume   96.91
_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  0.03  0.51  0.03  1.0
  Rh  Rh1  2  0.04  0.49  0.04  1.0
  Rh  Rh2  2  0.08  0.51  0.08  1.0

Hf Hf Rh Rh Rh Rh