data_HfW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.71
_cell_length_b   8.43
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfW
_chemical_formula_sum   'Hf12 W12'
_cell_volume   452.9
_cell_formula_units_Z   12
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  0.44  0.51  0.38  1.0
  Hf  Hf1  1  0.26  0.92  0.15  1.0
  Hf  Hf2  1  0.26  0.29  0.38  1.0
  Hf  Hf3  1  0.44  0.14  0.15  1.0
  Hf  Hf4  1  0.77  0.78  0.38  1.0
  Hf  Hf5  1  0.94  0.65  0.15  1.0
  Hf  Hf6  1  0.94  1.0  0.38  1.0
  Hf  Hf7  1  0.77  0.43  0.15  1.0
  Hf  Hf8  1  0.19  0.11  0.0  1.0
  Hf  Hf9  1  0.52  0.32  0.77  1.0
  Hf  Hf10  1  0.52  0.32  0.0  1.0
  Hf  Hf11  1  0.19  0.11  0.77  1.0
  W  W12  1  0.12  0.74  0.38  1.0
  W  W13  1  0.59  0.7  0.15  1.0
  W  W14  1  0.59  0.52  0.38  1.0
  W  W15  1  0.12  0.91  0.15  1.0
  W  W16  1  0.52  0.94  0.38  1.0
  W  W17  1  0.19  0.49  0.15  1.0
  W  W18  1  0.19  0.16  0.38  1.0
  W  W19  1  0.52  0.27  0.15  1.0
  W  W20  1  0.92  0.11  0.0  1.0
  W  W21  1  0.79  0.32  0.77  1.0
  W  W22  1  0.79  0.32  0.0  1.0
  W  W23  1  0.92  0.11  0.77  1.0

data_HfW
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.53
_cell_length_b   8.43
_cell_length_c   9.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfW
_chemical_formula_sum   'Hf12 W12'
_cell_volume   452.9
_cell_formula_units_Z   12
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  0.89  0.81  1.0
  Hf  Hf1  1  0.0  0.68  0.48  1.0
  Hf  Hf2  1  0.23  0.68  0.48  1.0
  Hf  Hf3  1  0.23  0.89  0.81  1.0
  Hf  Hf4  1  0.62  0.0  0.06  1.0
  Hf  Hf5  1  0.62  0.22  0.23  1.0
  Hf  Hf6  1  0.62  0.49  0.56  1.0
  Hf  Hf7  1  0.62  0.71  0.74  1.0
  Hf  Hf8  1  0.85  0.08  0.74  1.0
  Hf  Hf9  1  0.85  0.35  0.06  1.0
  Hf  Hf10  1  0.85  0.57  0.23  1.0
  Hf  Hf11  1  0.85  0.86  0.56  1.0
  W  W12  1  0.0  0.89  0.08  1.0
  W  W13  1  0.0  0.68  0.21  1.0
  W  W14  1  0.23  0.68  0.21  1.0
  W  W15  1  0.23  0.89  0.08  1.0
  W  W16  1  0.62  0.06  0.48  1.0
  W  W17  1  0.62  0.26  0.88  1.0
  W  W18  1  0.62  0.48  0.41  1.0
  W  W19  1  0.62  0.84  0.81  1.0
  W  W20  1  0.85  0.09  0.88  1.0
  W  W21  1  0.85  0.3  0.41  1.0
  W  W22  1  0.85  0.51  0.81  1.0
  W  W23  1  0.85  0.73  0.48  1.0

Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf W W W W W W W W W W W W