data_Hf3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   4.72
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   104.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3W
_chemical_formula_sum   'Hf3 W1'
_cell_volume   81.37
_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  0.96  0.36  0.14  1.0
  Hf  Hf1  1  0.66  0.36  0.51  1.0
  Hf  Hf2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.81  0.0  0.82  1.0

data_Hf3W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.72
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   104.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3W
_chemical_formula_sum   'Hf3 W1'
_cell_volume   81.37
_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
  Hf  Hf1  1  0.66  0.36  0.51  1.0
  Hf  Hf2  1  0.96  0.36  0.14  1.0
  W  W3  1  0.81  0.0  0.82  1.0

Hf Hf Hf W
Hf Hf Hf W 0 2 + o o 0 1 + o o 0 1 o o o 1 3 o o o 2 3 - o - 