# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29724500
_cell_length_b   9.07614248
_cell_length_c   10.18732855
_cell_angle_alpha   90.05138815
_cell_angle_beta   90.85425509
_cell_angle_gamma   90.07358190
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   489.73694155
_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  0.34791800  0.00042300  0.90491300  1
  Li  Li1  1  0.14839900  0.49156700  0.66274600  1
  Li  Li2  1  0.14722800  0.51551100  0.17207100  1
  Fe  Fe3  1  0.83992100  0.16934400  0.87779600  1
  Fe  Fe4  1  0.16113500  0.15571000  0.62285000  1
  Fe  Fe5  1  0.65965100  0.32666500  0.13280400  1
  Fe  Fe6  1  0.35499300  0.33644600  0.38270500  1
  Fe  Fe7  1  0.65845800  0.67421300  0.63060900  1
  Fe  Fe8  1  0.83455500  0.82967900  0.37070900  1
  Fe  Fe9  1  0.34749600  0.65881500  0.88588400  1
  Fe  Fe10  1  0.16526100  0.84957000  0.13319000  1
  B  B11  1  0.84495000  0.16128500  0.37538400  1
  B  B12  1  0.66857800  0.33762600  0.63509100  1
  B  B13  1  0.17832000  0.18071800  0.11624200  1
  B  B14  1  0.33286800  0.32204300  0.87119400  1
  B  B15  1  0.65622800  0.65619100  0.13348900  1
  B  B16  1  0.32838100  0.67526600  0.37930500  1
  B  B17  1  0.84596700  0.84174500  0.87359000  1
  B  B18  1  0.16302000  0.82452500  0.62803600  1
  O  O19  1  0.73754100  0.02655700  0.36928600  1
  O  O20  1  0.92691200  0.19592900  0.07113800  1
  O  O21  1  0.29939500  0.05165800  0.10341700  1
  O  O22  1  0.81004800  0.21527700  0.67850800  1
  O  O23  1  0.71718300  0.28279100  0.32296000  1
  O  O24  1  0.20655800  0.18900700  0.83354400  1
  O  O25  1  0.08134800  0.18469300  0.43619900  1
  O  O26  1  0.57160200  0.30307600  0.92892600  1
  O  O27  1  0.78054800  0.47293000  0.63068000  1
  O  O28  1  0.41455200  0.31845100  0.59907500  1
  O  O29  1  0.29321400  0.30974600  0.16434000  1
  O  O30  1  0.78346100  0.52318900  0.12933500  1
  O  O31  1  0.22782700  0.45356100  0.85020400  1
  O  O32  1  0.71375900  0.71965900  0.82442400  1
  O  O33  1  0.57277500  0.69412800  0.43370500  1
  O  O34  1  0.23055300  0.53908300  0.36327800  1
  O  O35  1  0.40193800  0.66355800  0.09558200  1
  O  O36  1  0.92100700  0.80904100  0.57529100  1
  O  O37  1  0.78700700  0.78030300  0.17663600  1
  O  O38  1  0.29325900  0.69561400  0.66269500  1
  O  O39  1  0.19622400  0.80149400  0.34168200  1
  O  O40  1  0.71537600  0.97470000  0.87867500  1
  O  O41  1  0.09448800  0.83318300  0.91508500  1
  O  O42  1  0.26550500  0.96065400  0.64813600  1
