# generated using pymatgen
data_PaTi2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76354932
_cell_length_b   5.34074076
_cell_length_c   6.36997301
_cell_angle_alpha   96.71160404
_cell_angle_beta   107.18230959
_cell_angle_gamma   110.63070510
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PaTi2O6
_chemical_formula_sum   'Pa1 Ti2 O6'
_cell_volume   110.92770278
_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
  Pa  Pa0  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.56866536  0.74591062  0.39141810  1.0
  Ti  Ti2  1  0.43133564  0.25409038  0.60858190  1.0
  O  O3  1  0.43855939  0.79364171  0.08347606  1.0
  O  O4  1  0.32769678  0.35291341  0.30248115  1.0
  O  O5  1  0.12114987  0.85554375  0.38675900  1.0
  O  O6  1  0.87884913  0.14445425  0.61324000  1.0
  O  O7  1  0.67230322  0.64708759  0.69751885  1.0
  O  O8  1  0.56144261  0.20636129  0.91652394  1.0