data_HfAl2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.5
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   98.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAl2W
_chemical_formula_sum   'Hf1 Al2 W1'
_cell_volume   67.82
_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  Hf2  1  1.0  0.0  0.45  1.0
  Al  Al0  1  0.86  0.0  0.01  1.0
  Al  Al1  1  0.42  0.25  0.37  1.0
  W  W3  1  0.21  0.25  0.03  1.0

data_HfAl2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.5
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   98.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAl2W
_chemical_formula_sum   'Hf1 Al2 W1'
_cell_volume   67.82
_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  1.0  0.0  0.45  1.0
  Al  Al1  1  0.42  0.25  0.37  1.0
  Al  Al2  1  0.86  0.0  0.01  1.0
  W  W3  1  0.21  0.25  0.03  1.0

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