data_Hf2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   17.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2W
_chemical_formula_sum   'Hf16 W8'
_cell_volume   473.64
_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  0.77  0.6  0.16  1.0
  Hf  Hf1  1  0.0  0.2  0.64  1.0
  Hf  Hf2  1  0.0  0.2  0.26  1.0
  Hf  Hf3  1  0.77  0.6  0.54  1.0
  Hf  Hf4  1  0.61  0.4  0.9  1.0
  Hf  Hf5  1  0.39  0.4  0.9  1.0
  Hf  Hf6  1  0.77  0.0  0.9  1.0
  Hf  Hf7  1  0.61  0.4  0.0  1.0
  Hf  Hf8  1  0.39  0.4  0.0  1.0
  Hf  Hf9  1  0.77  0.0  0.0  1.0
  Hf  Hf10  1  0.32  0.76  0.35  1.0
  Hf  Hf11  1  0.22  0.76  0.35  1.0
  Hf  Hf12  1  0.77  0.27  0.35  1.0
  Hf  Hf13  1  0.45  0.04  0.45  1.0
  Hf  Hf14  1  0.55  0.04  0.45  1.0
  Hf  Hf15  1  0.0  0.53  0.45  1.0
  W  W16  1  0.0  0.0  0.52  1.0
  W  W17  1  0.0  0.0  0.28  1.0
  W  W18  1  0.0  0.0  0.62  1.0
  W  W19  1  0.0  0.0  0.18  1.0
  W  W20  1  0.77  0.6  0.16  1.0
  W  W21  1  0.0  0.2  0.64  1.0
  W  W22  1  0.0  0.2  0.06  1.0
  W  W23  1  0.77  0.6  0.74  1.0

data_Hf2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   17.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2W
_chemical_formula_sum   'Hf16 W8'
_cell_volume   473.64
_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  0.2  0.26  1.0
  Hf  Hf1  1  0.0  0.2  0.64  1.0
  Hf  Hf2  1  0.0  0.53  0.45  1.0
  Hf  Hf3  1  0.22  0.76  0.35  1.0
  Hf  Hf4  1  0.32  0.76  0.35  1.0
  Hf  Hf5  1  0.39  0.4  -0.0  1.0
  Hf  Hf6  1  0.39  0.4  0.9  1.0
  Hf  Hf7  1  0.45  0.04  0.45  1.0
  Hf  Hf8  1  0.55  0.04  0.45  1.0
  Hf  Hf9  1  0.61  0.4  -0.0  1.0
  Hf  Hf10  1  0.61  0.4  0.9  1.0
  Hf  Hf11  1  0.77  0.0  0.0  1.0
  Hf  Hf12  1  0.77  0.0  0.9  1.0
  Hf  Hf13  1  0.77  0.27  0.35  1.0
  Hf  Hf14  1  0.77  0.6  0.16  1.0
  Hf  Hf15  1  0.77  0.6  0.54  1.0
  W  W16  1  0.0  0.0  0.18  1.0
  W  W17  1  0.0  0.0  0.28  1.0
  W  W18  1  0.0  0.0  0.52  1.0
  W  W19  1  0.0  0.0  0.62  1.0
  W  W20  1  0.0  0.2  0.06  1.0
  W  W21  1  0.0  0.2  0.64  1.0
  W  W22  1  0.77  0.6  0.16  1.0
  W  W23  1  0.77  0.6  0.74  1.0

Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf W W W W W W W W 0 20 o o o 0 19 + + o 1 21 o o o 1 18 o o o 1 23 - - o 1 23 - o o 2 17 o o o 2 12 - o o 2 19 o o o 3 15 + o o 3 16 + + o 3 23 o o o 4 5 o o o 4 23 o o o 5 23 o o o 6 9 o o + 6 23 o - o 7 8 o o o 9 22 + o o 10 11 o o o 10 12 o + o 10 15 o o o 11 12 - o o 11 15 o o o 12 14 o o o 12 13 o o o 12 15 + o o 13 14 o o o 14 15 + o o 16 18 o o o 17 19 o o o 18 21 o o o 18 23 - - o 19 20 - - o 21 23 - - o 21 23 - o o 