data_Li2TlGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   131.78
_cell_angle_beta   131.78
_cell_angle_gamma   70.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TlGe
_chemical_formula_sum   'Li2 Tl1 Ge1'
_cell_volume   79.2
_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  0.15  0.15  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.15  0.0  0.15  1.0
  Ge  Ge0  1  0.0  0.0  0.29  1.0

data_Li2TlGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   5.26
_cell_angle_alpha   114.11
_cell_angle_beta   114.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TlGe
_chemical_formula_sum   'Li2 Tl1 Ge1'
_cell_volume   79.2
_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
  Li  Li1  1  0.0  0.15  0.0  1.0
  Tl  Tl2  1  0.85  0.0  0.0  1.0
  Ge  Ge3  1  0.71  0.0  0.71  1.0

Li Li Tl Ge