data_Hf5W24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69
_cell_length_b   8.69
_cell_length_c   8.69
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5W24
_chemical_formula_sum   'Hf5 W24'
_cell_volume   504.85
_cell_formula_units_Z   1
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  0.88  0.88  0.12  1.0
  Hf  Hf1  1  0.88  0.12  0.88  1.0
  Hf  Hf2  1  0.14  0.14  0.14  1.0
  Hf  Hf3  1  0.12  0.88  0.88  1.0
  Hf  Hf4  1  0.0  0.0  0.0  1.0
  W  W5  1  0.14  0.06  0.94  1.0
  W  W6  1  0.14  0.94  0.06  1.0
  W  W7  1  0.89  0.94  0.94  1.0
  W  W8  1  0.87  0.08  0.08  1.0
  W  W9  1  0.06  0.14  0.94  1.0
  W  W10  1  0.94  0.14  0.06  1.0
  W  W11  1  0.08  0.87  0.08  1.0
  W  W12  1  0.94  0.89  0.94  1.0
  W  W13  1  0.08  0.08  0.87  1.0
  W  W14  1  0.94  0.94  0.89  1.0
  W  W15  1  0.94  0.06  0.14  1.0
  W  W16  1  0.06  0.94  0.14  1.0
  W  W17  1  0.66  0.4  0.6  1.0
  W  W18  1  0.66  0.6  0.4  1.0
  W  W19  1  0.35  0.61  0.61  1.0
  W  W20  1  0.37  0.4  0.4  1.0
  W  W21  1  0.4  0.66  0.6  1.0
  W  W22  1  0.6  0.66  0.4  1.0
  W  W23  1  0.4  0.37  0.4  1.0
  W  W24  1  0.61  0.35  0.61  1.0
  W  W25  1  0.4  0.4  0.37  1.0
  W  W26  1  0.61  0.61  0.35  1.0
  W  W27  1  0.6  0.4  0.66  1.0
  W  W28  1  0.4  0.6  0.66  1.0

data_Hf5W24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   14.19
_cell_length_b   14.19
_cell_length_c   8.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Hf5W24
_chemical_formula_sum   'Hf15 W72'
_cell_volume   1514.56
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  9  0.16  0.08  0.96  1.0
  Hf  Hf1  3  0.0  0.0  0.0  1.0
  Hf  Hf2  3  0.0  0.0  0.14  1.0
  W  W3  18  0.01  0.11  0.05  1.0
  W  W4  18  0.04  0.15  0.55  1.0
  W  W5  9  0.01  0.02  0.39  1.0
  W  W6  9  0.02  0.03  0.92  1.0
  W  W7  9  0.07  0.14  0.01  1.0
  W  W8  9  0.09  0.17  0.53  1.0

Hf Hf Hf Hf Hf W W W W W W W W W W W W W W W W W W W W W W W W
Hf Hf Hf Hf Hf W W W W W W W W W W W W W W W W W W W W W W W W 0 15 o + o 0 16 + o o 1 9 + o o 1 10 o o + 2 4 o o o 3 5 o + o 3 6 o o + 4 14 - - - 4 12 - - - 4 7 - - - 5 13 o o o 6 11 o o o 7 12 o o o 7 14 o o o 8 15 o o o 8 10 o o o 9 13 o o o 11 16 o o o 12 14 o o o 17 24 o o o 18 26 o o o 19 28 o o o 19 21 o o o 20 23 o o o 20 25 o o o 22 26 o o o 23 25 o o o 24 27 o o o 