data_Tl3Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.08
_cell_length_b   14.08
_cell_length_c   14.08
_cell_angle_alpha   165.41
_cell_angle_beta   165.41
_cell_angle_gamma   20.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Ge4
_chemical_formula_sum   'Tl3 Ge4'
_cell_volume   177.14
_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  0.0  0.0  0.0  1.0
  Tl  Tl5  1  0.0  0.0  0.44  1.0
  Tl  Tl6  1  0.0  0.0  0.27  1.0
  Ge  Ge0  1  0.0  0.0  0.32  1.0
  Ge  Ge1  1  0.0  0.0  0.39  1.0
  Ge  Ge2  1  0.0  0.0  0.23  1.0
  Ge  Ge3  1  0.0  0.0  0.48  1.0

data_Tl3Ge4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   14.08
_cell_angle_alpha   90.0
_cell_angle_beta   100.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl3Ge4
_chemical_formula_sum   'Tl6 Ge8'
_cell_volume   354.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.0  0.0  0.56  1.0
  Tl  Tl2  2  0.0  0.0  0.73  1.0
  Ge  Ge3  2  0.0  0.0  0.52  1.0
  Ge  Ge4  2  0.0  0.0  0.61  1.0
  Ge  Ge5  2  0.0  0.0  0.68  1.0
  Ge  Ge6  2  0.0  0.0  0.77  1.0

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