data_Hf2FeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   4.34
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2FeW
_chemical_formula_sum   'Hf2 Fe1 W1'
_cell_volume   68.45
_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  Hf1  1  0.0  0.17  0.42  1.0
  Hf  Hf2  1  0.63  0.17  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.63  0.0  0.42  1.0

data_Hf2FeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.34
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2FeW
_chemical_formula_sum   'Hf2 Fe1 W1'
_cell_volume   68.45
_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  0.17  0.42  1.0
  Hf  Hf1  1  0.63  0.17  -0.0  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.63  0.0  0.42  1.0

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