data_HfW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   4.59
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfW
_chemical_formula_sum   'Hf4 W4'
_cell_volume   152.51
_cell_formula_units_Z   4
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  0.73  0.15  0.69  1.0
  Hf  Hf1  1  0.22  0.45  0.5  1.0
  Hf  Hf2  1  0.68  0.15  0.13  1.0
  Hf  Hf3  1  0.17  0.45  0.94  1.0
  W  W4  1  0.52  0.15  0.41  1.0
  W  W5  1  0.43  0.45  0.6  1.0
  W  W6  1  0.47  0.15  0.02  1.0
  W  W7  1  0.38  0.45  0.21  1.0

data_HfW
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.59
_cell_length_b   5.62
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfW
_chemical_formula_sum   'Hf4 W4'
_cell_volume   152.51
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.15  0.19  0.77  1.0
  Hf  Hf1  2  0.15  0.63  0.72  1.0
  W  W2  2  0.15  0.29  0.98  1.0
  W  W3  2  0.15  0.9  0.93  1.0

Hf Hf Hf Hf W W W W