data_Ti2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   4.46
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2W
_chemical_formula_sum   'Ti8 W4'
_cell_volume   199.53
_cell_formula_units_Z   4
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
  Ti  Ti0  1  0.26  0.12  0.85  1.0
  Ti  Ti1  1  0.94  0.12  0.56  1.0
  Ti  Ti2  1  0.82  0.35  0.5  1.0
  Ti  Ti3  1  0.49  0.35  0.91  1.0
  Ti  Ti4  1  0.02  0.12  0.21  1.0
  Ti  Ti5  1  0.69  0.12  0.62  1.0
  Ti  Ti6  1  0.57  0.35  0.56  1.0
  Ti  Ti7  1  0.24  0.35  0.27  1.0
  W  W8  1  0.95  0.12  0.3  1.0
  W  W9  1  0.8  0.35  0.24  1.0
  W  W10  1  0.71  0.12  0.89  1.0
  W  W11  1  0.55  0.35  0.82  1.0

data_Ti2W
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.46
_cell_length_b   5.5
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ti2W
_chemical_formula_sum   'Ti8 W4'
_cell_volume   199.53
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ti  Ti0  2  0.38  0.18  0.0  1.0
  Ti  Ti1  2  0.38  0.26  0.65  1.0
  Ti  Ti2  2  0.38  0.51  0.29  1.0
  Ti  Ti3  2  0.38  0.94  0.06  1.0
  W  W4  2  0.38  0.2  0.74  1.0
  W  W5  2  0.38  0.95  0.32  1.0

Ti Ti Ti Ti Ti Ti Ti Ti W W W W