# generated using pymatgen
data_CaPrTi2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45455513
_cell_length_b   5.52551353
_cell_length_c   7.78135092
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.89840637
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPrTi2O6
_chemical_formula_sum   'Ca2 Pr2 Ti4 O12'
_cell_volume   234.52346421
_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
  Ca  Ca0  1  0.99158753  0.03968168  0.75000000  1.0
  Ca  Ca1  1  0.00841247  0.96031832  0.25000000  1.0
  Pr  Pr2  1  0.50676130  0.54170750  0.75000000  1.0
  Pr  Pr3  1  0.49323870  0.45829250  0.25000000  1.0
  Ti  Ti4  1  0.00000000  0.50000000  0.50000000  1.0
  Ti  Ti5  1  0.00000000  0.50000000  0.00000000  1.0
  Ti  Ti6  1  0.50000000  0.00000000  0.50000000  1.0
  Ti  Ti7  1  0.50000000  0.00000000  0.00000000  1.0
  O  O8  1  0.06845378  0.47401535  0.75000000  1.0
  O  O9  1  0.93154622  0.52598465  0.25000000  1.0
  O  O10  1  0.42441495  0.99265012  0.75000000  1.0
  O  O11  1  0.57558505  0.00734988  0.25000000  1.0
  O  O12  1  0.78715221  0.78608341  0.95565649  1.0
  O  O13  1  0.21284779  0.21391659  0.45565649  1.0
  O  O14  1  0.21284779  0.21391659  0.04434351  1.0
  O  O15  1  0.78715221  0.78608341  0.54434351  1.0
  O  O16  1  0.70678258  0.29212344  0.96804698  1.0
  O  O17  1  0.29321742  0.70787656  0.46804698  1.0
  O  O18  1  0.29321742  0.70787656  0.03195302  1.0
  O  O19  1  0.70678258  0.29212344  0.53195302  1.0