# generated using pymatgen
data_BaFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.05038073
_cell_length_b   13.05038073
_cell_length_c   13.05038115
_cell_angle_alpha   27.40377678
_cell_angle_beta   27.40377678
_cell_angle_gamma   27.40377804
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaFeO3
_chemical_formula_sum   'Ba4 Fe4 O12'
_cell_volume   415.52427401
_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  0.97151600  0.97151600  0.97151600  1.0
  Ba  Ba1  1  0.56366200  0.56366200  0.56366200  1.0
  Ba  Ba2  1  0.38816800  0.38816800  0.38816800  1.0
  Ba  Ba3  1  0.20069800  0.20069800  0.20069800  1.0
  Fe  Fe4  1  0.83765100  0.83765100  0.83765100  1.0
  Fe  Fe5  1  0.76634000  0.76634000  0.76634000  1.0
  Fe  Fe6  1  0.67131000  0.67131000  0.67131000  1.0
  Fe  Fe7  1  0.29324900  0.29324900  0.29324900  1.0
  O  O8  1  0.49471600  0.49471600  0.00851000  1.0
  O  O9  1  0.49471600  0.00851000  0.49471600  1.0
  O  O10  1  0.40041600  0.40041600  0.98883200  1.0
  O  O11  1  0.40041600  0.98883200  0.40041600  1.0
  O  O12  1  0.98883200  0.40041600  0.40041600  1.0
  O  O13  1  0.15449300  0.70119800  0.70119800  1.0
  O  O14  1  0.70119800  0.15449300  0.70119800  1.0
  O  O15  1  0.70119800  0.70119800  0.15449300  1.0
  O  O16  1  0.61220300  0.07180400  0.61220300  1.0
  O  O17  1  0.07180400  0.61220300  0.61220300  1.0
  O  O18  1  0.61220300  0.61220300  0.07180400  1.0
  O  O19  1  0.00851000  0.49471600  0.49471600  1.0