data_Ti2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   6.95
_cell_length_c   2.97
_cell_angle_alpha   78.58
_cell_angle_beta   76.83
_cell_angle_gamma   24.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Tl
_chemical_formula_sum   'Ti2 Tl1'
_cell_volume   58.46
_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  0.02  0.18  0.29  1.0
  Ti  Ti1  1  0.02  0.18  0.01  1.0
  Tl  Tl2  1  0.0  0.0  0.0  1.0

data_Ti2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   6.95
_cell_angle_alpha   101.42
_cell_angle_beta   101.42
_cell_angle_gamma   94.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Tl
_chemical_formula_sum   'Ti2 Tl1'
_cell_volume   58.46
_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  0.01  0.98  0.8  1.0
  Ti  Ti1  1  0.29  0.98  0.8  1.0
  Tl  Tl2  1  0.0  0.0  0.0  1.0

Ti Ti Tl