# generated using pymatgen
data_Ba8Fe8O21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74417766
_cell_length_b   5.81629992
_cell_length_c   19.09490824
_cell_angle_alpha   99.30332724
_cell_angle_beta   98.08166520
_cell_angle_gamma   60.02877386
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba8Fe8O21
_chemical_formula_sum   'Ba8 Fe8 O21'
_cell_volume   544.04175503
_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  0.75179600  0.75081100  0.25198600  1.0
  Ba  Ba1  1  0.37500000  0.37500000  0.12500000  1.0
  Ba  Ba2  1  0.99820400  0.99918900  0.99801400  1.0
  Ba  Ba3  1  0.87500000  0.87500000  0.62500000  1.0
  Ba  Ba4  1  0.49568400  0.50673800  0.49679100  1.0
  Ba  Ba5  1  0.12321400  0.12661200  0.37135600  1.0
  Ba  Ba6  1  0.62678600  0.62338800  0.87864400  1.0
  Ba  Ba7  1  0.25431600  0.24326200  0.75320900  1.0
  Fe  Fe8  1  0.66334900  0.65967600  0.05582700  1.0
  Fe  Fe9  1  0.78463300  0.86327500  0.42937000  1.0
  Fe  Fe10  1  0.08665100  0.09032400  0.19417300  1.0
  Fe  Fe11  1  0.43965400  0.45260700  0.31127000  1.0
  Fe  Fe12  1  0.96536700  0.88672500  0.82063000  1.0
  Fe  Fe13  1  0.20396200  0.16018000  0.56861200  1.0
  Fe  Fe14  1  0.54603800  0.58982000  0.68138800  1.0
  Fe  Fe15  1  0.31034600  0.29739300  0.93873000  1.0
  O  O16  1  0.49449700  0.48080600  0.99807600  1.0
  O  O17  1  0.37500000  0.87500000  0.12500000  1.0
  O  O18  1  0.99042800  0.51747000  0.00762000  1.0
  O  O19  1  0.87500000  0.37500000  0.12500000  1.0
  O  O20  1  0.24576400  0.75845600  0.24842300  1.0
  O  O21  1  0.50423600  0.99154400  0.00157700  1.0
  O  O22  1  0.11535800  0.62796800  0.38355100  1.0
  O  O23  1  0.75957200  0.23253000  0.24238000  1.0
  O  O24  1  0.62891700  0.63074700  0.37577900  1.0
  O  O25  1  0.25550300  0.26919400  0.25192400  1.0
  O  O26  1  0.37500000  0.87500000  0.62500000  1.0
  O  O27  1  0.61811600  0.14900100  0.37230000  1.0
  O  O28  1  0.87500000  0.37500000  0.62500000  1.0
  O  O29  1  0.37500000  0.37500000  0.62500000  1.0
  O  O30  1  0.75627500  0.73037800  0.74938400  1.0
  O  O31  1  0.99372500  0.01962200  0.50061600  1.0
  O  O32  1  0.50029100  0.00542700  0.49947800  1.0
  O  O33  1  0.24970900  0.74457300  0.75052200  1.0
  O  O34  1  0.13188400  0.60099900  0.87770000  1.0
  O  O35  1  0.12108300  0.11925300  0.87422100  1.0
  O  O36  1  0.63464200  0.12203200  0.86644900  1.0