# generated using pymatgen
data_Ba2AlFe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.80341546
_cell_length_b   3.80341754
_cell_length_c   12.03897562
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AlFe3O8
_chemical_formula_sum   'Ba2 Al1 Fe3 O8'
_cell_volume   174.15554529
_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
  Ba  Ba0  1  0.50000000  0.50000000  0.17030219  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.82969781  1.0
  Al  Al2  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe3  1  0.00000000  -0.00000000  0.35237250  1.0
  Fe  Fe4  1  0.00000000  -0.00000000  -0.00000000  1.0
  Fe  Fe5  1  -0.00000000  0.00000000  0.64762750  1.0
  O  O6  1  0.00000000  0.50000000  0.39910595  1.0
  O  O7  1  0.50000000  -0.00000000  0.39910586  1.0
  O  O8  1  0.50000000  -0.00000000  -0.00000000  1.0
  O  O9  1  0.00000000  -0.00000000  0.19827558  1.0
  O  O10  1  -0.00000000  0.50000000  0.60089405  1.0
  O  O11  1  0.50000000  0.00000000  0.60089414  1.0
  O  O12  1  -0.00000000  0.00000000  0.80172442  1.0
  O  O13  1  0.00000000  0.50000000  -0.00000000  1.0