data_Hf2Rh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   5.54
_cell_length_c   8.19
_cell_angle_alpha   58.29
_cell_angle_beta   41.71
_cell_angle_gamma   80.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Rh3
_chemical_formula_sum   'Hf4 Rh6'
_cell_volume   167.65
_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  0.98  0.28  0.24  1.0
  Hf  Hf1  1  0.78  0.88  0.24  1.0
  Hf  Hf2  1  0.42  0.59  0.94  1.0
  Hf  Hf3  1  0.34  0.57  0.94  1.0
  Rh  Rh4  1  0.44  0.98  0.09  1.0
  Rh  Rh5  1  0.33  0.19  0.09  1.0
  Rh  Rh6  1  0.88  0.48  0.39  1.0
  Rh  Rh7  1  0.77  0.27  0.39  1.0
  Rh  Rh8  1  0.88  0.58  0.99  1.0
  Rh  Rh9  1  0.44  0.29  0.08  1.0

data_Hf2Rh3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.22
_cell_length_b   5.54
_cell_length_c   7.08
_cell_angle_alpha   80.0
_cell_angle_beta   68.38
_cell_angle_gamma   61.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Rh3
_chemical_formula_sum   'Hf4 Rh6'
_cell_volume   167.65
_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  0.06  0.51  0.28  1.0
  Hf  Hf1  1  0.06  0.53  0.36  1.0
  Hf  Hf2  1  0.76  0.52  0.23  1.0
  Hf  Hf3  1  0.76  0.13  0.03  1.0
  Rh  Rh4  1  0.01  0.57  0.87  1.0
  Rh  Rh5  1  0.61  0.87  0.27  1.0
  Rh  Rh6  1  0.61  0.66  0.16  1.0
  Rh  Rh7  1  0.91  0.06  0.52  1.0
  Rh  Rh8  1  0.91  0.27  0.42  1.0
  Rh  Rh9  1  0.92  0.37  0.52  1.0

Hf Hf Hf Hf Rh Rh Rh Rh Rh Rh
Hf Hf Hf Hf Rh Rh Rh Rh Rh Rh 0 7 o o o 0 6 o o o 0 8 o o - 1 6 o o o 2 3 o o o 4 5 o + o 5 9 o o o 6 7 o o o 7 8 o o - 