# generated using pymatgen
data_CaPr(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40744362
_cell_length_b   5.46217039
_cell_length_c   7.63348859
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPr(FeO3)2
_chemical_formula_sum   'Ca2 Pr2 Fe4 O12'
_cell_volume   225.46560749
_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  0.00785649  0.95886767  0.75000000  1.0
  Ca  Ca1  1  0.50785649  0.54113233  0.25000000  1.0
  Pr  Pr2  1  0.49204613  0.46309987  0.75000000  1.0
  Pr  Pr3  1  0.99204613  0.03690013  0.25000000  1.0
  Fe  Fe4  1  0.99954527  0.50146632  0.49953204  1.0
  Fe  Fe5  1  0.49954527  0.99853368  0.50046796  1.0
  Fe  Fe6  1  0.49954527  0.99853368  0.99953204  1.0
  Fe  Fe7  1  0.99954527  0.50146632  0.00046796  1.0
  O  O8  1  0.71614343  0.28699122  0.46115417  1.0
  O  O9  1  0.21614343  0.21300878  0.53884583  1.0
  O  O10  1  0.78163222  0.78499132  0.03508186  1.0
  O  O11  1  0.28163222  0.71500868  0.96491814  1.0
  O  O12  1  0.28163222  0.71500868  0.53508186  1.0
  O  O13  1  0.78163222  0.78499132  0.46491814  1.0
  O  O14  1  0.21614343  0.21300878  0.96115417  1.0
  O  O15  1  0.71614343  0.28699122  0.03884583  1.0
  O  O16  1  0.07227527  0.48881356  0.25000000  1.0
  O  O17  1  0.57227527  0.01118644  0.75000000  1.0
  O  O18  1  0.43318030  0.98627628  0.25000000  1.0
  O  O19  1  0.93318030  0.51372372  0.75000000  1.0