data_LiTlSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.6
_cell_angle_alpha   102.91
_cell_angle_beta   102.91
_cell_angle_gamma   33.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTlSb2
_chemical_formula_sum   'Li1 Tl1 Sb2'
_cell_volume   107.16
_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  0.01  0.0  0.1  1.0
  Tl  Tl3  1  0.13  0.0  0.87  1.0
  Sb  Sb1  1  0.12  0.0  0.09  1.0
  Sb  Sb2  1  0.24  0.0  0.11  1.0

data_LiTlSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.6
_cell_length_c   5.95
_cell_angle_alpha   102.91
_cell_angle_beta   106.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTlSb2
_chemical_formula_sum   'Li1 Tl1 Sb2'
_cell_volume   107.16
_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  0.1  0.01  1.0
  Tl  Tl1  1  0.0  0.87  0.13  1.0
  Sb  Sb2  1  0.0  0.09  0.12  1.0
  Sb  Sb3  1  0.0  0.11  0.24  1.0

Li Tl Sb Sb