# generated using pymatgen
data_LiFe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24301800
_cell_length_b   9.10284778
_cell_length_c   11.33447186
_cell_angle_alpha   112.81128802
_cell_angle_beta   102.33684537
_cell_angle_gamma   91.25418935
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe8(BO3)8
_chemical_formula_sum   'Li1 Fe8 B8 O24'
_cell_volume   483.82402537
_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
  Li  Li0  1  0.23884400  0.59262600  0.84584200  1
  Fe  Fe1  1  0.98012900  0.97710700  0.62486400  1
  Fe  Fe2  1  0.73229500  0.05863100  0.12269400  1
  Fe  Fe3  1  0.51648600  0.52415000  0.37126500  1
  Fe  Fe4  1  0.75049400  0.42201300  0.87458000  1
  Fe  Fe5  1  0.23163400  0.55635200  0.11768200  1
  Fe  Fe6  1  0.49349200  0.47023100  0.62353300  1
  Fe  Fe7  1  0.01779200  0.02178200  0.37068000  1
  Fe  Fe8  1  0.26628700  0.94953800  0.87507600  1
  B  B9  1  0.97963800  0.30848700  0.62581400  1
  B  B10  1  0.73376400  0.72881800  0.12166000  1
  B  B11  1  0.52513600  0.18722400  0.37184400  1
  B  B12  1  0.76308200  0.76787000  0.87257500  1
  B  B13  1  0.47148500  0.80938200  0.62304100  1
  B  B14  1  0.23410400  0.23064500  0.12373600  1
  B  B15  1  0.02875400  0.68758900  0.37257800  1
  B  B16  1  0.26513300  0.26530700  0.87306000  1
  O  O17  1  0.98274500  0.21012600  0.12865700  1
  O  O18  1  0.86946700  0.88372300  0.17321700  1
  O  O19  1  0.87209300  0.59866800  0.07609800  1
  O  O20  1  0.86297400  0.56934800  0.36880900  1
  O  O21  1  0.98146400  0.84803400  0.42937100  1
  O  O22  1  0.75157200  0.15787700  0.32324500  1
  O  O23  1  0.74556300  0.33540600  0.66405500  1
  O  O24  1  0.47154000  0.70764400  0.11141000  1
  O  O25  1  0.37242500  0.38344400  0.17122900  1
  O  O26  1  0.51274000  0.64758900  0.56763100  1
  O  O27  1  0.63528100  0.92449900  0.62314500  1
  O  O28  1  0.36594300  0.09758300  0.06865400  1
  O  O29  1  0.63561800  0.90229700  0.92777400  1
  O  O30  1  0.36092500  0.06707000  0.36460500  1
  O  O31  1  0.47277900  0.34725300  0.42692900  1
  O  O32  1  0.61160500  0.61849100  0.82203100  1
  O  O33  1  0.51805400  0.25772100  0.87324000  1
  O  O34  1  0.25293400  0.65653400  0.32195200  1
  O  O35  1  0.25251500  0.84716600  0.67814000  1
  O  O36  1  0.03190000  0.15043600  0.56667100  1
  O  O37  1  0.15855500  0.43486800  0.65245500  1
  O  O38  1  0.15562300  0.41217000  0.91849300  1
  O  O39  1  0.09620800  0.11922000  0.82553300  1
  O  O40  1  0.02196200  0.78089500  0.86928700  1
