[CIF]
data_TaTi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89825364
_cell_length_b   4.32255764
_cell_length_c   5.90028034
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTi2Cl
_chemical_formula_sum   'Ta1 Ti2 Cl1'
_cell_volume   73.91793571
_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
  Cl  Cl0  1  0.00000000  0.00000000  2.31710033  1
  Ta  Ta1  1  1.44912682  2.16127882  4.85440792  1
  Ti  Ti2  1  0.00000000  0.00000000  5.83848446  1
  Ti  Ti3  1  1.44912682  2.16127882  1.74070814  1
[/CIF]
