# generated using pymatgen
data_Ca3PrTi4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41599562
_cell_length_b   5.49460673
_cell_length_c   7.70463760
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.98731464
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3PrTi4O12
_chemical_formula_sum   'Ca3 Pr1 Ti4 O12'
_cell_volume   229.28050187
_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
  Ca  Ca0  1  0.49200881  0.45782025  0.25000000  1.0
  Ca  Ca1  1  0.99082027  0.04109556  0.75000000  1.0
  Ca  Ca2  1  0.00864216  0.96026607  0.25000000  1.0
  Pr  Pr3  1  0.50773889  0.53937863  0.75000000  1.0
  Ti  Ti4  1  0.00086062  0.49944107  0.49560654  1.0
  Ti  Ti5  1  0.00086062  0.49944107  0.00439346  1.0
  Ti  Ti6  1  0.49936578  0.00103987  0.49611276  1.0
  Ti  Ti7  1  0.49936578  0.00103987  0.00388724  1.0
  O  O8  1  0.06886825  0.47994845  0.75000000  1.0
  O  O9  1  0.92461497  0.52316885  0.25000000  1.0
  O  O10  1  0.42463623  0.98982000  0.75000000  1.0
  O  O11  1  0.57642054  0.01560106  0.25000000  1.0
  O  O12  1  0.78701604  0.78629155  0.95689001  1.0
  O  O13  1  0.21211975  0.21280669  0.45926394  1.0
  O  O14  1  0.21211975  0.21280669  0.04073606  1.0
  O  O15  1  0.78701604  0.78629155  0.54310999  1.0
  O  O16  1  0.71132062  0.28822807  0.96430170  1.0
  O  O17  1  0.29244164  0.70864480  0.46353309  1.0
  O  O18  1  0.29244164  0.70864480  0.03646691  1.0
  O  O19  1  0.71132062  0.28822807  0.53569830  1.0