data_HfNiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   2.77
_cell_angle_alpha   100.42
_cell_angle_beta   100.42
_cell_angle_gamma   119.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNiW2
_chemical_formula_sum   'Hf1 Ni1 W2'
_cell_volume   64.51
_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  0.7  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.85  0.32  0.29  1.0
  W  W3  1  0.85  0.68  0.29  1.0

data_HfNiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   5.1
_cell_length_c   5.36
_cell_angle_alpha   115.73
_cell_angle_beta   100.42
_cell_angle_gamma   99.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNiW2
_chemical_formula_sum   'Hf1 Ni1 W2'
_cell_volume   64.51
_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  0.7  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.61  0.32  0.17  1.0
  W  W3  1  0.98  0.68  0.54  1.0

Hf Ni W W