data_TaTi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   5.67
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTi3
_chemical_formula_sum   'Ta2 Ti6'
_cell_volume   140.34
_cell_formula_units_Z   2
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
  Ta  Ta0  1  0.37  0.0  0.89  1.0
  Ta  Ta1  1  0.0  0.83  0.33  1.0
  Ti  Ti2  1  0.0  0.0  0.36  1.0
  Ti  Ti3  1  0.37  0.43  0.48  1.0
  Ti  Ti4  1  0.0  0.41  0.74  1.0
  Ti  Ti5  1  0.37  0.83  0.86  1.0
  Ti  Ti6  1  0.37  0.24  0.48  1.0
  Ti  Ti7  1  0.0  0.26  0.74  1.0

data_TaTi3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.75
_cell_length_b   5.22
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTi3
_chemical_formula_sum   'Ta2 Ti6'
_cell_volume   140.34
_cell_formula_units_Z   2
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
  Ta  Ta0  1  0.0  0.67  0.17  1.0
  Ta  Ta1  1  0.63  0.11  0.0  1.0
  Ti  Ti2  1  0.0  0.26  0.59  1.0
  Ti  Ti3  1  0.0  0.26  0.74  1.0
  Ti  Ti4  1  0.0  0.64  0.0  1.0
  Ti  Ti5  1  0.63  0.14  0.17  1.0
  Ti  Ti6  1  0.63  0.52  0.57  1.0
  Ti  Ti7  1  0.63  0.52  0.76  1.0

Ta Ta Ti Ti Ti Ti Ti Ti