data_Hf3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   9.26
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Rh
_chemical_formula_sum   'Hf12 Rh4'
_cell_volume   327.9
_cell_formula_units_Z   4
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  0.19  0.32  0.83  1.0
  Hf  Hf1  1  0.27  0.46  0.17  1.0
  Hf  Hf2  1  0.27  0.17  0.17  1.0
  Hf  Hf3  1  0.75  0.09  0.1  1.0
  Hf  Hf4  1  0.75  0.8  0.1  1.0
  Hf  Hf5  1  0.83  0.95  0.9  1.0
  Hf  Hf6  1  0.21  0.32  0.95  1.0
  Hf  Hf7  1  0.29  0.46  0.76  1.0
  Hf  Hf8  1  0.29  0.17  0.76  1.0
  Hf  Hf9  1  0.77  0.09  0.69  1.0
  Hf  Hf10  1  0.77  0.8  0.69  1.0
  Hf  Hf11  1  0.85  0.95  0.02  1.0
  Rh  Rh12  1  0.69  0.95  0.6  1.0
  Rh  Rh13  1  0.33  0.32  0.67  1.0
  Rh  Rh14  1  0.71  0.95  0.19  1.0
  Rh  Rh15  1  0.35  0.32  0.26  1.0

data_Hf3Rh
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.86
_cell_length_b   6.04
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Hf3Rh
_chemical_formula_sum   'Hf12 Rh4'
_cell_volume   327.9
_cell_formula_units_Z   4
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  0.26  0.75  0.67  1.0
  Hf  Hf1  2  0.26  0.75  0.96  1.0
  Hf  Hf2  2  0.33  0.27  0.04  1.0
  Hf  Hf3  2  0.33  0.27  0.33  1.0
  Hf  Hf4  2  0.4  0.17  0.18  1.0
  Hf  Hf5  2  0.48  0.81  0.82  1.0
  Rh  Rh6  2  0.17  0.67  0.82  1.0
  Rh  Rh7  2  0.24  0.31  0.18  1.0

Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Rh Rh Rh Rh