data_Tl3Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Ge4
_chemical_formula_sum   'Tl3 Ge4'
_cell_volume   184.41
_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  Tl4  1  0.61  0.79  0.57  1.0
  Tl  Tl5  1  0.22  0.0  0.57  1.0
  Tl  Tl6  1  0.39  0.79  0.57  1.0
  Ge  Ge0  1  0.0  0.0  0.85  1.0
  Ge  Ge1  1  0.0  0.0  0.28  1.0
  Ge  Ge2  1  0.0  0.72  0.0  1.0
  Ge  Ge3  1  0.22  0.86  0.0  1.0

data_Tl3Ge4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.13
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Ge4
_chemical_formula_sum   'Tl3 Ge4'
_cell_volume   184.41
_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  0.57  0.22  0.0  1.0
  Tl  Tl1  1  0.57  0.39  0.79  1.0
  Tl  Tl2  1  0.57  0.61  0.79  1.0
  Ge  Ge3  1  -0.0  0.22  0.86  1.0
  Ge  Ge4  1  -0.0  0.0  0.72  1.0
  Ge  Ge5  1  0.28  0.0  0.0  1.0
  Ge  Ge6  1  0.85  0.0  0.0  1.0

Tl Tl Tl Ge Ge Ge Ge
Tl Tl Tl Ge Ge Ge Ge 0 2 o o o 1 4 o o o 1 3 o o o 1 6 o - + 1 2 o - o 3 6 o - + 3 5 o - + 3 4 o o + 4 6 o - o 4 5 o - o 5 6 o o o 