data_TlGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   3.2
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGe
_chemical_formula_sum   'Tl2 Ge2'
_cell_volume   107.01
_cell_formula_units_Z   2
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  Tl2  1  0.16  0.6  0.94  1.0
  Tl  Tl3  1  0.48  0.6  0.26  1.0
  Ge  Ge0  1  0.16  0.0  0.92  1.0
  Ge  Ge1  1  0.48  0.0  0.28  1.0

data_TlGe
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.64
_cell_length_b   3.2
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   TlGe
_chemical_formula_sum   'Tl2 Ge2'
_cell_volume   107.01
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.16  0.6  0.16  1.0
  Ge  Ge1  2  0.16  0.0  0.18  1.0

Tl Tl Ge Ge
Tl Tl Ge Ge 0 2 o + o 1 3 o + o 