data_HfAlW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   2.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAlW2
_chemical_formula_sum   'Hf1 Al1 W2'
_cell_volume   69.12
_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  0.8  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.4  0.81  0.41  1.0
  W  W3  1  0.4  0.19  0.41  1.0

data_HfAlW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   114.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAlW2
_chemical_formula_sum   'Hf1 Al1 W2'
_cell_volume   69.12
_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  0.8  0.0  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.41  0.4  0.19  1.0
  W  W3  1  0.41  0.4  0.81  1.0

Hf Al W W