data_TiTl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   6.21
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTl3
_chemical_formula_sum   'Ti2 Tl6'
_cell_volume   200.67
_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
  Ti  Ti0  1  0.0  0.0  0.72  1.0
  Ti  Ti1  1  0.76  0.11  0.13  1.0
  Tl  Tl2  1  0.76  0.0  0.2  1.0
  Tl  Tl3  1  0.0  0.11  0.64  1.0
  Tl  Tl4  1  0.0  0.52  0.82  1.0
  Tl  Tl5  1  0.0  0.69  0.82  1.0
  Tl  Tl6  1  0.76  0.63  0.02  1.0
  Tl  Tl7  1  0.76  0.59  0.02  1.0

data_TiTl3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.53
_cell_length_b   5.84
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTl3
_chemical_formula_sum   'Ti2 Tl6'
_cell_volume   200.67
_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
  Ti  Ti0  1  0.0  0.28  0.0  1.0
  Ti  Ti1  1  0.24  0.87  0.89  1.0
  Tl  Tl2  1  0.0  0.18  0.31  1.0
  Tl  Tl3  1  0.0  0.36  0.89  1.0
  Tl  Tl4  1  0.0  0.18  0.48  1.0
  Tl  Tl5  1  0.24  0.8  0.0  1.0
  Tl  Tl6  1  0.24  0.98  0.37  1.0
  Tl  Tl7  1  0.24  0.98  0.41  1.0

Ti Ti Tl Tl Tl Tl Tl Tl