data_Th(GeO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.86
_cell_length_b   9.86
_cell_length_c   9.86
_cell_angle_alpha   122.68
_cell_angle_beta   122.68
_cell_angle_gamma   85.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(GeO)2
_chemical_formula_sum   'Th4 Ge8 O8'
_cell_volume   647.98
_cell_formula_units_Z   4
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
  Th  Th0  1  0.0  0.09  0.81  1.0
  Th  Th1  1  0.0  0.36  0.81  1.0
  Th  Th2  1  0.36  0.73  0.43  1.0
  Th  Th3  1  0.64  0.73  0.43  1.0
  Ge  Ge4  1  0.0  0.67  0.54  1.0
  Ge  Ge5  1  0.73  0.05  0.3  1.0
  Ge  Ge6  1  0.05  0.0  0.92  1.0
  Ge  Ge7  1  0.73  0.67  0.33  1.0
  Ge  Ge8  1  0.73  0.33  0.33  1.0
  Ge  Ge9  1  0.4  0.0  0.92  1.0
  Ge  Ge10  1  0.67  0.0  0.95  1.0
  Ge  Ge11  1  0.05  0.73  0.7  1.0
  O  O12  1  0.0  0.89  0.89  1.0
  O  O13  1  0.73  0.84  0.65  1.0
  O  O14  1  0.84  0.0  0.27  1.0
  O  O15  1  0.73  0.89  0.97  1.0
  O  O16  1  0.73  0.11  0.97  1.0
  O  O17  1  0.62  0.0  0.27  1.0
  O  O18  1  0.89  0.0  0.6  1.0
  O  O19  1  0.84  0.73  0.35  1.0

data_Th(GeO)2
_symmetry_space_group_name_H-M   C2
_cell_length_a   13.37
_cell_length_b   13.37
_cell_length_c   9.86
_cell_angle_alpha   90.0
_cell_angle_beta   132.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   5
_chemical_formula_structural   Th(GeO)2
_chemical_formula_sum   'Th8 Ge16 O16'
_cell_volume   1295.96
_cell_formula_units_Z   8
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
  Th  Th0  4  0.01  0.29  0.82  1.0
  Th  Th1  4  0.13  0.42  0.45  1.0
  Ge  Ge2  4  0.04  0.04  0.38  1.0
  Ge  Ge3  4  0.05  0.08  0.03  1.0
  Ge  Ge4  4  0.13  0.21  0.97  1.0
  Ge  Ge5  4  0.15  0.9  0.62  1.0
  O  O6  4  0.09  0.82  0.54  1.0
  O  O7  4  0.11  0.3  0.19  1.0
  O  O8  4  0.19  0.19  0.11  1.0
  O  O9  4  0.2  0.93  0.76  1.0

Th Th Th Th Ge Ge Ge Ge Ge Ge Ge Ge O O O O O O O O
Th Th Th Th Ge Ge Ge Ge Ge Ge Ge Ge O O O O O O O O 0 18 - o o 0 6 o o o 0 1 o o o 1 18 - o o 2 13 o o o 2 3 o o o 3 7 o o o 3 13 o o o 4 11 o o o 4 8 - o o 5 17 o o o 5 14 o o o 5 8 o o o 5 9 o o - 6 12 o - o 6 9 o o o 7 19 o o o 7 8 o o o 8 9 o o - 8 17 o o o 8 16 o o - 8 10 o o - 8 14 o o o 9 11 o - o 9 15 o - o 9 16 o o o 9 10 o o o 9 17 o o + 10 15 o - o 10 16 o o o 