data_HfSiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   143.2
_cell_angle_beta   130.39
_cell_angle_gamma   63.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSiW2
_chemical_formula_sum   'Hf1 Si1 W2'
_cell_volume   66.28
_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  0.49  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.21  0.24  1.0
  W  W3  1  0.67  0.0  0.25  1.0

data_HfSiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.43
_cell_length_c   5.28
_cell_angle_alpha   114.81
_cell_angle_beta   108.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSiW2
_chemical_formula_sum   'Hf1 Si1 W2'
_cell_volume   66.28
_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  0.51  0.51  0.51  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.42  0.75  0.42  1.0
  W  W3  1  0.76  0.97  0.97  1.0

Hf Si W W