# generated using pymatgen
data_Ba3Fe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85804066
_cell_length_b   5.85804066
_cell_length_c   14.15879200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.77463341
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Fe3O8
_chemical_formula_sum   'Ba6 Fe6 O16'
_cell_volume   417.46340876
_cell_formula_units_Z   2
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  0.33168500  0.66831500  0.85255200  1.0
  Ba  Ba1  1  0.33168500  0.66831500  0.14744800  1.0
  Ba  Ba2  1  0.99962100  0.00037900  0.00000000  1.0
  Ba  Ba3  1  0.99262800  0.00737200  0.50000000  1.0
  Ba  Ba4  1  0.67176800  0.32823200  0.33932300  1.0
  Ba  Ba5  1  0.67176800  0.32823200  0.66067700  1.0
  Fe  Fe6  1  0.35866300  0.64133700  0.58975400  1.0
  Fe  Fe7  1  0.35866300  0.64133700  0.41024600  1.0
  Fe  Fe8  1  0.98032200  0.01967800  0.76071100  1.0
  Fe  Fe9  1  0.98032200  0.01967800  0.23928900  1.0
  Fe  Fe10  1  0.66154000  0.33846000  0.09366900  1.0
  Fe  Fe11  1  0.66154000  0.33846000  0.90633100  1.0
  O  O12  1  0.04421500  0.51928400  0.50000000  1.0
  O  O13  1  0.15980600  0.32811700  0.33178700  1.0
  O  O14  1  0.15980600  0.32811700  0.66821300  1.0
  O  O15  1  0.48071600  0.95578500  0.50000000  1.0
  O  O16  1  0.50575400  0.49424600  0.50000000  1.0
  O  O17  1  0.32648800  0.15298000  0.82013000  1.0
  O  O18  1  0.32648800  0.15298000  0.17987000  1.0
  O  O19  1  0.67188300  0.84019400  0.33178700  1.0
  O  O20  1  0.67188300  0.84019400  0.66821300  1.0
  O  O21  1  0.50934400  0.49065600  0.00000000  1.0
  O  O22  1  0.50249100  0.03467000  0.00000000  1.0
  O  O23  1  0.84702000  0.67351200  0.82013000  1.0
  O  O24  1  0.84702000  0.67351200  0.17987000  1.0
  O  O25  1  0.96533000  0.49750900  0.00000000  1.0
  O  O26  1  0.82692600  0.17307400  0.16550100  1.0
  O  O27  1  0.82692600  0.17307400  0.83449900  1.0