data_Li2TlBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   6.05
_cell_angle_alpha   143.08
_cell_angle_beta   134.13
_cell_angle_gamma   60.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TlBi
_chemical_formula_sum   'Li2 Tl1 Bi1'
_cell_volume   94.37
_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  0.45  1.0
  Li  Li2  1  0.91  0.0  0.63  1.0
  Tl  Tl3  1  0.0  0.0  0.16  1.0
  Bi  Bi0  1  0.0  0.36  0.68  1.0

data_Li2TlBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   4.71
_cell_length_c   6.05
_cell_angle_alpha   112.93
_cell_angle_beta   108.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TlBi
_chemical_formula_sum   'Li2 Tl1 Bi1'
_cell_volume   94.37
_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  0.29  0.37  0.29  1.0
  Li  Li1  1  0.55  0.55  0.55  1.0
  Tl  Tl2  1  0.84  0.84  0.84  1.0
  Bi  Bi3  1  0.32  0.68  0.68  1.0

Li Li Tl Bi