# generated using pymatgen
data_Ba8Fe8O21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74417800
_cell_length_b   5.78308913
_cell_length_c   19.04038149
_cell_angle_alpha   97.62177524
_cell_angle_beta   90.66556253
_cell_angle_gamma   119.39564278
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba8Fe8O21
_chemical_formula_sum   'Ba8 Fe8 O21'
_cell_volume   544.04174090
_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  0.62040800  0.99720400  0.12698600  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.00000000  1.0
  Ba  Ba2  1  0.37959200  0.00279600  0.87301400  1.0
  Ba  Ba3  1  0.00000000  0.50000000  0.50000000  1.0
  Ba  Ba4  1  0.87578600  0.99647100  0.37179100  1.0
  Ba  Ba5  1  0.75381800  0.50203200  0.24635600  1.0
  Ba  Ba6  1  0.24618200  0.49796800  0.75364400  1.0
  Ba  Ba7  1  0.12421400  0.00352900  0.62820900  1.0
  Fe  Fe8  1  0.99614800  0.28449700  0.93082700  1.0
  Fe  Fe9  1  0.29772200  0.70735500  0.30437000  1.0
  Fe  Fe10  1  0.00385200  0.71550300  0.06917300  1.0
  Fe  Fe11  1  0.17146900  0.23612300  0.18627000  1.0
  Fe  Fe12  1  0.70227800  0.29264500  0.69563000  1.0
  Fe  Fe13  1  0.44224600  0.27120800  0.44361200  1.0
  Fe  Fe14  1  0.55775400  0.72879200  0.55638800  1.0
  Fe  Fe15  1  0.82853100  0.76387700  0.81373000  1.0
  O  O16  1  0.40162100  0.52111800  0.87307600  1.0
  O  O17  1  0.00000000  0.00000000  0.00000000  1.0
  O  O18  1  0.85948200  0.47491000  0.88262000  1.0
  O  O19  1  0.00000000  0.50000000  0.00000000  1.0
  O  O20  1  0.12235700  0.99312100  0.12342300  1.0
  O  O21  1  0.87764300  0.00687900  0.87657700  1.0
  O  O22  1  0.24812300  0.98848100  0.25855100  1.0
  O  O23  1  0.14051800  0.52509000  0.11738000  1.0
  O  O24  1  0.73955800  0.99347400  0.25077900  1.0
  O  O25  1  0.59837900  0.47888200  0.12692400  1.0
  O  O26  1  0.50000000  0.50000000  0.50000000  1.0
  O  O27  1  0.23558300  0.47869900  0.24730000  1.0
  O  O28  1  0.50000000  0.00000000  0.50000000  1.0
  O  O29  1  0.00000000  0.00000000  0.50000000  1.0
  O  O30  1  0.13896300  0.52023800  0.62438400  1.0
  O  O31  1  0.86103700  0.47976200  0.37561600  1.0
  O  O32  1  0.36980400  0.49509500  0.37447800  1.0
  O  O33  1  0.63019600  0.50490500  0.62552200  1.0
  O  O34  1  0.76441700  0.52130100  0.75270000  1.0
  O  O35  1  0.26044200  0.00652600  0.74922100  1.0
  O  O36  1  0.75187700  0.01151900  0.74144900  1.0