# generated using pymatgen
data_PrTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53697762
_cell_length_b   5.53697762
_cell_length_c   5.53697744
_cell_angle_alpha   61.66746208
_cell_angle_beta   61.66746208
_cell_angle_gamma   61.66745346
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrTiO3
_chemical_formula_sum   'Pr2 Ti2 O6'
_cell_volume   124.52131208
_cell_formula_units_Z   2
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
  Pr  Pr0  1  0.25000000  0.25000000  0.25000000  1.0
  Pr  Pr1  1  0.75000000  0.75000000  0.75000000  1.0
  Ti  Ti2  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti3  1  0.50000000  0.50000000  0.50000000  1.0
  O  O4  1  0.75000000  0.17079600  0.32920400  1.0
  O  O5  1  0.67079600  0.25000000  0.82920400  1.0
  O  O6  1  0.82920400  0.67079600  0.25000000  1.0
  O  O7  1  0.17079600  0.32920400  0.75000000  1.0
  O  O8  1  0.32920400  0.75000000  0.17079600  1.0
  O  O9  1  0.25000000  0.82920400  0.67079600  1.0