# generated using pymatgen
data_BaFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64446640
_cell_length_b   5.64446666
_cell_length_c   13.69047446
_cell_angle_alpha   89.99997685
_cell_angle_beta   90.00002746
_cell_angle_gamma   119.99965500
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaFeO3
_chemical_formula_sum   'Ba6 Fe6 O18'
_cell_volume   377.74301687
_cell_formula_units_Z   6
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  -0.00000009  0.00000019  0.25001470  1.0
  Ba  Ba1  1  -0.00000007  0.00000003  0.74999684  1.0
  Ba  Ba2  1  0.33333320  0.66666681  0.40946670  1.0
  Ba  Ba3  1  0.66666619  0.33333331  0.59052197  1.0
  Ba  Ba4  1  0.66666673  0.33333321  0.90945346  1.0
  Ba  Ba5  1  0.33333323  0.66666680  0.09053397  1.0
  Fe  Fe6  1  -0.00000022  0.00000006  0.49994319  1.0
  Fe  Fe7  1  -0.00000038  0.00000033  0.00005642  1.0
  Fe  Fe8  1  0.33333288  0.66666710  0.65585296  1.0
  Fe  Fe9  1  0.66666689  0.33333316  0.34404293  1.0
  Fe  Fe10  1  0.66666690  0.33333323  0.15595894  1.0
  Fe  Fe11  1  0.33333304  0.66666695  0.84414478  1.0
  O  O12  1  0.52225300  0.47774748  0.25000614  1.0
  O  O13  1  0.52225384  0.04450549  0.25000621  1.0
  O  O14  1  0.95549467  0.47774594  0.25000622  1.0
  O  O15  1  0.47777893  0.52222141  0.75000743  1.0
  O  O16  1  0.47777752  0.95555832  0.75000720  1.0
  O  O17  1  0.04444173  0.52222237  0.75000716  1.0
  O  O18  1  0.82761335  0.17238667  0.41669394  1.0
  O  O19  1  0.82761264  0.65522603  0.41669386  1.0
  O  O20  1  0.34477395  0.17238734  0.41669385  1.0
  O  O21  1  0.17236667  0.82763327  0.58328579  1.0
  O  O22  1  0.17236740  0.34473479  0.58328593  1.0
  O  O23  1  0.65526522  0.82763254  0.58328591  1.0
  O  O24  1  0.17237072  0.82762929  0.91670435  1.0
  O  O25  1  0.17237127  0.34474208  0.91670433  1.0
  O  O26  1  0.65525758  0.82762854  0.91670457  1.0
  O  O27  1  0.82761256  0.17238769  0.08330541  1.0
  O  O28  1  0.82761195  0.65522439  0.08330543  1.0
  O  O29  1  0.34477568  0.17238820  0.08330539  1.0