data_Hf4FeW9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.25
_cell_length_b   8.25
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4FeW9
_chemical_formula_sum   'Hf8 Fe2 W18'
_cell_volume   492.5
_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  Hf2  1  0.71  0.89  0.09  1.0
  Hf  Hf3  1  0.13  0.37  0.09  1.0
  Hf  Hf4  1  0.54  0.89  0.09  1.0
  Hf  Hf5  1  0.41  0.26  0.27  1.0
  Hf  Hf6  1  0.0  0.77  0.27  1.0
  Hf  Hf7  1  0.59  0.26  0.27  1.0
  Hf  Hf8  1  0.0  0.0  0.0  1.0
  Hf  Hf9  1  0.0  0.0  0.18  1.0
  Fe  Fe0  1  0.0  0.76  0.09  1.0
  Fe  Fe1  1  0.13  0.38  0.27  1.0
  W  W10  1  0.49  0.64  0.42  1.0
  W  W11  1  0.0  0.02  0.42  1.0
  W  W12  1  0.51  0.64  0.42  1.0
  W  W13  1  0.64  0.51  0.6  1.0
  W  W14  1  0.13  0.13  0.6  1.0
  W  W15  1  0.61  0.51  0.6  1.0
  W  W16  1  0.13  0.13  0.94  1.0
  W  W17  1  0.64  0.51  0.94  1.0
  W  W18  1  0.61  0.51  0.94  1.0
  W  W19  1  0.0  0.02  0.76  1.0
  W  W20  1  0.49  0.64  0.76  1.0
  W  W21  1  0.51  0.64  0.76  1.0
  W  W22  1  0.37  0.4  0.09  1.0
  W  W23  1  0.13  0.35  0.09  1.0
  W  W24  1  0.88  0.4  0.09  1.0
  W  W25  1  0.76  0.75  0.27  1.0
  W  W26  1  0.0  0.79  0.27  1.0
  W  W27  1  0.24  0.75  0.27  1.0

data_Hf4FeW9
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.25
_cell_length_b   8.25
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4FeW9
_chemical_formula_sum   'Hf8 Fe2 W18'
_cell_volume   492.5
_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  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.0  0.18  1.0
  Hf  Hf2  1  0.0  0.77  0.27  1.0
  Hf  Hf3  1  0.13  0.37  0.09  1.0
  Hf  Hf4  1  0.41  0.26  0.27  1.0
  Hf  Hf5  1  0.54  0.89  0.09  1.0
  Hf  Hf6  1  0.59  0.26  0.27  1.0
  Hf  Hf7  1  0.71  0.89  0.09  1.0
  Fe  Fe8  1  0.0  0.76  0.09  1.0
  Fe  Fe9  1  0.13  0.38  0.27  1.0
  W  W10  1  0.0  0.02  0.42  1.0
  W  W11  1  0.0  0.02  0.76  1.0
  W  W12  1  0.0  0.79  0.27  1.0
  W  W13  1  0.13  0.13  0.6  1.0
  W  W14  1  0.13  0.13  0.94  1.0
  W  W15  1  0.13  0.35  0.09  1.0
  W  W16  1  0.24  0.75  0.27  1.0
  W  W17  1  0.37  0.4  0.09  1.0
  W  W18  1  0.49  0.64  0.42  1.0
  W  W19  1  0.49  0.64  0.76  1.0
  W  W20  1  0.51  0.64  0.42  1.0
  W  W21  1  0.51  0.64  0.76  1.0
  W  W22  1  0.61  0.51  0.6  1.0
  W  W23  1  0.61  0.51  0.94  1.0
  W  W24  1  0.64  0.51  0.6  1.0
  W  W25  1  0.64  0.51  0.94  1.0
  W  W26  1  0.76  0.75  0.27  1.0
  W  W27  1  0.88  0.4  0.09  1.0

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