data_LiTl2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   5.73
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   95.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTl2Bi
_chemical_formula_sum   'Li1 Tl2 Bi1'
_cell_volume   114.98
_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  Li1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.57  0.86  0.41  1.0
  Tl  Tl3  1  0.4  0.86  0.31  1.0
  Bi  Bi0  1  0.48  0.0  0.86  1.0

data_LiTl2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   5.73
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   95.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTl2Bi
_chemical_formula_sum   'Li1 Tl2 Bi1'
_cell_volume   114.98
_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  0.4  0.86  0.31  1.0
  Tl  Tl2  1  0.57  0.86  0.41  1.0
  Bi  Bi3  1  0.48  0.0  0.86  1.0

Li Tl Tl Bi