# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23494100
_cell_length_b   9.12902538
_cell_length_c   11.36948478
_cell_angle_alpha   113.25819660
_cell_angle_beta   103.25672868
_cell_angle_gamma   89.40916493
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   483.92925069
_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  0.28176500  0.27614100  0.89888900  1
  Li  Li1  1  0.26627500  0.25211400  0.16205700  1
  Li  Li2  1  0.97035600  0.98488200  0.63144600  1
  Fe  Fe3  1  0.01388100  0.34859300  0.38085600  1
  Fe  Fe4  1  0.25691800  0.92821300  0.87636500  1
  Fe  Fe5  1  0.46662800  0.16429300  0.62765400  1
  Fe  Fe6  1  0.25292000  0.57292500  0.13246300  1
  Fe  Fe7  1  0.77241300  0.44450400  0.88085300  1
  Fe  Fe8  1  0.51919500  0.85453500  0.37785000  1
  Fe  Fe9  1  0.98292000  0.64364600  0.63189600  1
  Fe  Fe10  1  0.73433000  0.05477500  0.12094500  1
  B  B11  1  0.03199800  0.69197900  0.38770200  1
  B  B12  1  0.27345200  0.59648600  0.87362000  1
  B  B13  1  0.48284700  0.81712000  0.62727400  1
  B  B14  1  0.23704100  0.90441000  0.13412400  1
  B  B15  1  0.51793400  0.17962400  0.36894700  1
  B  B16  1  0.76824200  0.11475200  0.88033100  1
  B  B17  1  0.96374100  0.31449700  0.63373800  1
  B  B18  1  0.73426000  0.38412400  0.11942000  1
  O  O19  1  0.02170800  0.10170900  0.86607600  1
  O  O20  1  0.12232400  0.69510000  0.82445300  1
  O  O21  1  0.15424300  0.49675300  0.91762000  1
  O  O22  1  0.09889900  0.18852000  0.63944500  1
  O  O23  1  0.04296500  0.41154500  0.57485100  1
  O  O24  1  0.23616700  0.82922900  0.66070300  1
  O  O25  1  0.25701400  0.68154800  0.34135400  1
  O  O26  1  0.53563000  0.59665200  0.88161900  1
  O  O27  1  0.61392900  0.22549700  0.84507400  1
  O  O28  1  0.46068400  0.07939000  0.42479800  1
  O  O29  1  0.34901000  0.28905600  0.35139900  1
  O  O30  1  0.65207400  0.02262000  0.93047600  1
  O  O31  1  0.35155500  0.00732200  0.09018100  1
  O  O32  1  0.63925400  0.69987400  0.63628400  1
  O  O33  1  0.56626200  0.93045600  0.58611500  1
  O  O34  1  0.39376300  0.80554600  0.18030500  1
  O  O35  1  0.46790200  0.37983500  0.10958900  1
  O  O36  1  0.74502100  0.35243300  0.68463400  1
  O  O37  1  0.75055400  0.16793200  0.32539500  1
  O  O38  1  0.96494200  0.57300800  0.42853400  1
  O  O39  1  0.87779500  0.81618500  0.39922500  1
  O  O40  1  0.86261600  0.47748400  0.07670100  1
  O  O41  1  0.89051000  0.28375600  0.17134700  1
  O  O42  1  0.97450300  0.90612400  0.12878900  1
