data_HfTiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   4.59
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   99.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiW2
_chemical_formula_sum   'Hf1 Ti1 W2'
_cell_volume   69.18
_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  0.97  0.0  0.65  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.93  0.29  0.3  1.0
  W  W3  1  0.01  0.29  0.0  1.0

data_HfTiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.59
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   99.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiW2
_chemical_formula_sum   'Hf1 Ti1 W2'
_cell_volume   69.18
_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  0.97  0.0  0.65  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.01  0.29  0.0  1.0
  W  W3  1  0.93  0.29  0.3  1.0

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