data_Hf5W3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11
_cell_length_b   8.11
_cell_length_c   8.11
_cell_angle_alpha   96.44
_cell_angle_beta   96.44
_cell_angle_gamma   140.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5W3
_chemical_formula_sum   'Hf10 W6'
_cell_volume   317.21
_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  0.97  0.21  0.0  1.0
  Hf  Hf1  1  0.81  0.43  0.72  1.0
  Hf  Hf2  1  0.0  0.4  0.36  1.0
  Hf  Hf3  1  0.81  0.37  0.0  1.0
  Hf  Hf4  1  0.97  0.59  0.72  1.0
  Hf  Hf5  1  0.43  0.81  0.0  1.0
  Hf  Hf6  1  0.59  0.03  0.72  1.0
  Hf  Hf7  1  0.4  0.0  0.36  1.0
  Hf  Hf8  1  0.59  0.97  0.0  1.0
  Hf  Hf9  1  0.43  0.19  0.72  1.0
  W  W10  1  0.55  0.85  0.72  1.0
  W  W11  1  0.0  0.0  0.07  1.0
  W  W12  1  0.15  0.55  0.72  1.0
  W  W13  1  0.26  0.85  0.0  1.0
  W  W14  1  0.0  0.0  0.36  1.0
  W  W15  1  0.85  0.55  0.0  1.0

data_Hf5W3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.43
_cell_length_b   8.11
_cell_length_c   8.11
_cell_angle_alpha   83.56
_cell_angle_beta   70.43
_cell_angle_gamma   70.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5W3
_chemical_formula_sum   'Hf10 W6'
_cell_volume   317.21
_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  0.04  0.36  0.6  1.0
  Hf  Hf1  1  0.21  0.0  0.76  1.0
  Hf  Hf2  1  0.31  0.72  0.56  1.0
  Hf  Hf3  1  0.37  0.0  0.44  1.0
  Hf  Hf4  1  0.48  0.72  0.24  1.0
  Hf  Hf5  1  0.64  0.36  0.4  1.0
  Hf  Hf6  1  0.72  0.72  0.38  1.0
  Hf  Hf7  1  0.81  0.0  0.62  1.0
  Hf  Hf8  1  0.88  0.72  0.38  1.0
  Hf  Hf9  1  0.97  0.0  0.62  1.0
  W  W10  1  0.14  0.72  0.69  1.0
  W  W11  1  0.55  0.0  0.31  1.0
  W  W12  1  0.64  0.36  0.0  1.0
  W  W13  1  0.83  0.72  0.6  1.0
  W  W14  1  0.85  0.0  0.4  1.0
  W  W15  1  0.93  0.07  0.0  1.0

Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf W W W W W W
Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf W W W W W W 0 8 o - o 0 11 + o o 0 2 + o o 1 4 o o o 1 2 + o o 1 7 o o o 1 9 o o o 1 12 + o o 2 3 - o o 2 5 - - o 2 8 - - o 2 7 - o o 2 7 o + o 2 4 - o o 2 14 o o o 2 6 o + o 2 12 o o o 2 10 o o o 3 15 o o o 3 7 + + o 4 7 o o o 4 12 + o o 5 8 o o o 5 7 o + o 5 13 o o o 6 10 o - o 6 7 o o o 7 13 o - o 7 15 - - o 7 14 o o o 7 9 o o o 7 8 o - o 8 13 o o o 10 12 o o o 11 14 o o o 13 15 - o o 