data_Hf2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   17.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Ru
_chemical_formula_sum   'Hf16 Ru8'
_cell_volume   470.1
_cell_formula_units_Z   8
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  0.82  0.63  0.16  1.0
  Hf  Hf1  1  0.0  0.26  0.87  1.0
  Hf  Hf2  1  0.0  0.26  0.68  1.0
  Hf  Hf3  1  0.82  0.63  0.35  1.0
  Hf  Hf4  1  0.59  0.44  0.0  1.0
  Hf  Hf5  1  0.41  0.44  0.0  1.0
  Hf  Hf6  1  0.82  0.0  0.0  1.0
  Hf  Hf7  1  0.59  0.44  0.52  1.0
  Hf  Hf8  1  0.41  0.44  0.52  1.0
  Hf  Hf9  1  0.82  0.0  0.52  1.0
  Hf  Hf10  1  0.34  0.77  0.26  1.0
  Hf  Hf11  1  0.31  0.77  0.26  1.0
  Hf  Hf12  1  0.82  0.34  0.26  1.0
  Hf  Hf13  1  0.48  0.12  0.78  1.0
  Hf  Hf14  1  0.52  0.12  0.78  1.0
  Hf  Hf15  1  0.0  0.55  0.78  1.0
  Ru  Ru16  1  0.0  0.0  0.78  1.0
  Ru  Ru17  1  0.0  0.0  0.26  1.0
  Ru  Ru18  1  0.0  0.0  0.3  1.0
  Ru  Ru19  1  0.0  0.0  0.74  1.0
  Ru  Ru20  1  0.82  0.63  0.66  1.0
  Ru  Ru21  1  0.0  0.26  0.37  1.0
  Ru  Ru22  1  0.0  0.26  0.15  1.0
  Ru  Ru23  1  0.82  0.63  0.89  1.0

data_Hf2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   17.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Ru
_chemical_formula_sum   'Hf16 Ru8'
_cell_volume   470.1
_cell_formula_units_Z   8
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  0.26  0.68  1.0
  Hf  Hf1  1  -0.0  0.26  0.87  1.0
  Hf  Hf2  1  -0.0  0.55  0.78  1.0
  Hf  Hf3  1  0.31  0.77  0.26  1.0
  Hf  Hf4  1  0.34  0.77  0.26  1.0
  Hf  Hf5  1  0.41  0.44  0.0  1.0
  Hf  Hf6  1  0.41  0.44  0.52  1.0
  Hf  Hf7  1  0.48  0.12  0.78  1.0
  Hf  Hf8  1  0.52  0.12  0.78  1.0
  Hf  Hf9  1  0.59  0.44  0.0  1.0
  Hf  Hf10  1  0.59  0.44  0.52  1.0
  Hf  Hf11  1  0.82  0.0  0.0  1.0
  Hf  Hf12  1  0.82  0.0  0.52  1.0
  Hf  Hf13  1  0.82  0.34  0.26  1.0
  Hf  Hf14  1  0.82  0.63  0.16  1.0
  Hf  Hf15  1  0.82  0.63  0.35  1.0
  Ru  Ru16  1  -0.0  0.26  0.15  1.0
  Ru  Ru17  1  -0.0  0.26  0.37  1.0
  Ru  Ru18  1  0.0  0.0  0.26  1.0
  Ru  Ru19  1  0.0  0.0  0.3  1.0
  Ru  Ru20  1  0.0  0.0  0.74  1.0
  Ru  Ru21  1  0.0  0.0  0.78  1.0
  Ru  Ru22  1  0.82  0.63  0.66  1.0
  Ru  Ru23  1  0.82  0.63  0.89  1.0

Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Ru Ru Ru Ru Ru Ru Ru Ru