# generated using pymatgen
data_Ca3Pr(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34986987
_cell_length_b   5.37216839
_cell_length_c   7.57556656
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.06582162
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Pr(FeO3)4
_chemical_formula_sum   'Ca3 Pr1 Fe4 O12'
_cell_volume   217.72468275
_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  0.49397166  0.46521699  0.25000000  1.0
  Ca  Ca1  1  0.99346607  0.03418336  0.75000000  1.0
  Ca  Ca2  1  0.00711713  0.96728256  0.25000000  1.0
  Pr  Pr3  1  0.50532199  0.53046922  0.75000000  1.0
  Fe  Fe4  1  0.49965765  0.00068252  0.49611053  1.0
  Fe  Fe5  1  0.49965765  0.00068252  0.00388947  1.0
  Fe  Fe6  1  0.00049713  0.49977582  0.00417307  1.0
  Fe  Fe7  1  0.00049713  0.49977582  0.49582693  1.0
  O  O8  1  0.21980000  0.21820638  0.03404721  1.0
  O  O9  1  0.21980000  0.21820638  0.46595279  1.0
  O  O10  1  0.71780918  0.28224113  0.97159075  1.0
  O  O11  1  0.77994456  0.78194808  0.53737259  1.0
  O  O12  1  0.28574293  0.71489807  0.46940768  1.0
  O  O13  1  0.77994456  0.78194808  0.96262741  1.0
  O  O14  1  0.43590660  0.99813413  0.75000000  1.0
  O  O15  1  0.93670060  0.51613683  0.25000000  1.0
  O  O16  1  0.05629746  0.48674263  0.75000000  1.0
  O  O17  1  0.71780918  0.28224113  0.52840925  1.0
  O  O18  1  0.28574293  0.71489807  0.03059232  1.0
  O  O19  1  0.56431560  0.00633126  0.25000000  1.0