data_TaTiTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.43
_cell_angle_alpha   100.01
_cell_angle_beta   100.01
_cell_angle_gamma   34.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiTl2
_chemical_formula_sum   'Ta1 Ti1 Tl2'
_cell_volume   83.29
_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
  Ta  Ta0  1  0.5  0.0  0.67  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.24  0.0  0.34  1.0
  Tl  Tl3  1  0.76  0.0  0.0  1.0

data_TaTiTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.23
_cell_length_c   5.43
_cell_angle_alpha   100.01
_cell_angle_beta   90.0
_cell_angle_gamma   107.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiTl2
_chemical_formula_sum   'Ta1 Ti1 Tl2'
_cell_volume   83.29
_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
  Ta  Ta0  1  0.0  0.5  0.33  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.0  0.24  1.0  1.0
  Tl  Tl3  1  0.0  0.76  0.66  1.0

Ta Ti Tl Tl