data_TiTlCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   4.71
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   102.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTlCl2
_chemical_formula_sum   'Ti1 Tl1 Cl2'
_cell_volume   114.49
_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
  Ti  Ti2  1  0.52  0.0  0.35  1.0
  Tl  Tl3  1  0.82  0.35  0.19  1.0
  Cl  Cl0  1  0.23  0.0  0.61  1.0
  Cl  Cl1  1  0.57  0.35  0.49  1.0

data_TiTlCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.71
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   102.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTlCl2
_chemical_formula_sum   'Ti1 Tl1 Cl2'
_cell_volume   114.49
_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
  Ti  Ti0  1  0.52  0.0  0.35  1.0
  Tl  Tl1  1  0.82  0.35  0.19  1.0
  Cl  Cl2  1  0.23  0.0  0.61  1.0
  Cl  Cl3  1  0.57  0.35  0.49  1.0

Ti Tl Cl Cl