# generated using pymatgen
data_Ba3FeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28767733
_cell_length_b   8.35687385
_cell_length_c   10.48886657
_cell_angle_alpha   90.00048326
_cell_angle_beta   90.00003626
_cell_angle_gamma   89.99746767
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3FeO5
_chemical_formula_sum   'Ba12 Fe4 O20'
_cell_volume   638.79505041
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.62111539  0.24999894  0.97150224  1.0
  Ba  Ba1  1  0.12112650  0.74999876  0.52849800  1.0
  Ba  Ba2  1  0.37886503  0.75000191  0.02849901  1.0
  Ba  Ba3  1  0.87888069  0.25000092  0.47150025  1.0
  Ba  Ba4  1  0.42255920  0.02487502  0.31836831  1.0
  Ba  Ba5  1  0.92254915  0.97512609  0.18163184  1.0
  Ba  Ba6  1  0.57744607  0.52487279  0.68162868  1.0
  Ba  Ba7  1  0.07743433  0.47512734  0.81836966  1.0
  Ba  Ba8  1  0.57743875  0.97513933  0.68163033  1.0
  Ba  Ba9  1  0.07745249  0.02488193  0.81836657  1.0
  Ba  Ba10  1  0.42254888  0.47511603  0.31836867  1.0
  Ba  Ba11  1  0.92256143  0.52486349  0.18163198  1.0
  Fe  Fe12  1  0.30141562  0.24999969  0.59299900  1.0
  Fe  Fe13  1  0.80140552  0.75000636  0.90700351  1.0
  Fe  Fe14  1  0.69858575  0.74999839  0.40700086  1.0
  Fe  Fe15  1  0.19858508  0.24999366  0.09299906  1.0
  O  O16  1  0.83297172  0.25000126  0.71923872  1.0
  O  O17  1  0.33296504  0.75000148  0.78076109  1.0
  O  O18  1  0.16703250  0.74999747  0.28075939  1.0
  O  O19  1  0.66703542  0.24999858  0.21924214  1.0
  O  O20  1  0.50191672  0.25000003  0.49792686  1.0
  O  O21  1  0.00190542  0.75000236  0.00207526  1.0
  O  O22  1  0.49808585  0.75000457  0.50207665  1.0
  O  O23  1  0.99808784  0.24999376  0.99792672  1.0
  O  O24  1  0.28613910  0.05607230  0.06423072  1.0
  O  O25  1  0.78611237  0.94391415  0.43576675  1.0
  O  O26  1  0.71389311  0.55609624  0.93576470  1.0
  O  O27  1  0.21387811  0.44392040  0.56422759  1.0
  O  O28  1  0.71387915  0.94393813  0.93576696  1.0
  O  O29  1  0.21389237  0.05609125  0.56423188  1.0
  O  O30  1  0.28612407  0.44389163  0.06423244  1.0
  O  O31  1  0.78612000  0.55607713  0.43577148  1.0
  O  O32  1  0.15970572  0.24999406  0.26440590  1.0
  O  O33  1  0.65970024  0.74999981  0.23559197  1.0
  O  O34  1  0.84029406  0.75000616  0.73559688  1.0
  O  O35  1  0.34029329  0.24999960  0.76440792  1.0