data_LiTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.22
_cell_length_c   2.42
_cell_angle_alpha   84.15
_cell_angle_beta   70.01
_cell_angle_gamma   25.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTl2
_chemical_formula_sum   'Li1 Tl2'
_cell_volume   24.78
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.14  0.14  0.63  1.0
  Tl  Tl2  1  0.14  0.14  0.57  1.0

data_LiTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.27
_cell_length_b   2.42
_cell_length_c   5.22
_cell_angle_alpha   84.15
_cell_angle_beta   77.44
_cell_angle_gamma   62.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTl2
_chemical_formula_sum   'Li1 Tl2'
_cell_volume   24.78
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.37  0.76  0.72  1.0
  Tl  Tl2  1  0.43  0.7  0.72  1.0

Li Tl Tl