# generated using pymatgen
data_ThTi2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82692672
_cell_length_b   5.29463244
_cell_length_c   6.61716338
_cell_angle_alpha   71.62598528
_cell_angle_beta   73.19193058
_cell_angle_gamma   68.81401155
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThTi2O6
_chemical_formula_sum   'Th1 Ti2 O6'
_cell_volume   116.29259215
_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
  Th  Th0  1  -0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.82360186  0.74705474  0.60574254  1.0
  Ti  Ti2  1  0.17639814  0.25294526  0.39425746  1.0
  O  O3  1  0.27851120  0.84806943  0.59490817  1.0
  O  O4  1  0.72148880  0.15193057  0.40509183  1.0
  O  O5  1  0.65578474  0.79740054  0.89102797  1.0
  O  O6  1  0.02349191  0.64106661  0.31194858  1.0
  O  O7  1  0.97650809  0.35893339  0.68805142  1.0
  O  O8  1  0.34421526  0.20259946  0.10897203  1.0