data_Tl2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   146.23
_cell_angle_beta   132.64
_cell_angle_gamma   59.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Ge
_chemical_formula_sum   'Tl2 Ge1'
_cell_volume   81.66
_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
  Tl  Tl1  1  0.0  0.0  0.45  1.0
  Tl  Tl2  1  0.0  0.0  0.73  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Tl2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.71
_cell_length_c   5.86
_cell_angle_alpha   113.68
_cell_angle_beta   106.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Ge
_chemical_formula_sum   'Tl2 Ge1'
_cell_volume   81.66
_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
  Tl  Tl0  1  0.27  0.27  0.27  1.0
  Tl  Tl1  1  0.55  0.55  0.55  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

Tl Tl Ge
Tl Tl Ge 0 1 o o o 1 2 o o + 