data_HfW8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   98.06
_cell_angle_beta   98.06
_cell_angle_gamma   136.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfW8
_chemical_formula_sum   'Hf1 W8'
_cell_volume   152.74
_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  0.0  0.0  0.0  1.0
  W  W1  1  0.76  0.0  0.0  1.0
  W  W2  1  0.35  0.0  0.0  1.0
  W  W3  1  0.0  0.76  0.0  1.0
  W  W4  1  0.68  0.68  0.0  1.0
  W  W5  1  0.38  0.62  0.32  1.0
  W  W6  1  0.0  0.35  0.0  1.0
  W  W7  1  0.62  0.38  0.32  1.0
  W  W8  1  0.38  0.38  0.32  1.0

data_HfW8
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.64
_cell_length_b   11.48
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   111.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfW8
_chemical_formula_sum   'Hf2 W16'
_cell_volume   305.48
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  W  W1  4  0.12  0.12  -0.0  1.0
  W  W2  4  0.32  0.38  0.32  1.0
  W  W3  4  0.32  0.32  -0.0  1.0
  W  W4  2  0.32  0.0  -0.0  1.0
  W  W5  2  0.44  0.5  0.32  1.0

Hf W W W W W W W W