# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25739500
_cell_length_b   9.12361381
_cell_length_c   10.13883060
_cell_angle_alpha   89.49764229
_cell_angle_beta   89.33835181
_cell_angle_gamma   89.02579566
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   486.20303816
_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  0.18206500  0.16936100  0.14285200  1
  Li  Li1  1  0.32189100  0.33350000  0.41166800  1
  Li  Li2  1  0.65953300  0.67318700  0.65713400  1
  Fe  Fe3  1  0.15435200  0.84939300  0.63010600  1
  Fe  Fe4  1  0.18221600  0.50398400  0.12821200  1
  Fe  Fe5  1  0.32996800  0.99907200  0.86891600  1
  Fe  Fe6  1  0.32781800  0.67071100  0.37884800  1
  Fe  Fe7  1  0.66307800  0.33474900  0.63504700  1
  Fe  Fe8  1  0.67311900  0.99535700  0.12295400  1
  Fe  Fe9  1  0.83024000  0.15290800  0.38434000  1
  Fe  Fe10  1  0.83265300  0.49198700  0.88338600  1
  B  B11  1  0.16830500  0.50540600  0.62142600  1
  B  B12  1  0.16974600  0.83698100  0.13326600  1
  B  B13  1  0.33886000  0.00180600  0.37184600  1
  B  B14  1  0.32405000  0.66512500  0.87381100  1
  B  B15  1  0.65871100  0.99585000  0.62743100  1
  B  B16  1  0.67326700  0.32342000  0.12988800  1
  B  B17  1  0.82980800  0.49387500  0.37864000  1
  B  B18  1  0.82934500  0.16679200  0.88386600  1
  O  O19  1  0.09158800  0.50127200  0.34950200  1
  O  O20  1  0.08492700  0.14811100  0.89166700  1
  O  O21  1  0.21891400  0.80147300  0.84181900  1
  O  O22  1  0.24121600  0.87464400  0.42245700  1
  O  O23  1  0.19236900  0.12914600  0.36071700  1
  O  O24  1  0.16910400  0.55689100  0.92574900  1
  O  O25  1  0.29867700  0.37687800  0.60380500  1
  O  O26  1  0.31429900  0.95821100  0.08904100  1
  O  O27  1  0.28121100  0.63826600  0.58174300  1
  O  O28  1  0.29099700  0.71327000  0.18368100  1
  O  O29  1  0.41522900  0.32810100  0.14435500  1
  O  O30  1  0.41184300  0.01048000  0.67879900  1
  O  O31  1  0.59074100  0.00527700  0.32631000  1
  O  O32  1  0.57745200  0.63695100  0.85034000  1
  O  O33  1  0.72014500  0.29620500  0.83827700  1
  O  O34  1  0.72846900  0.35628700  0.41050000  1
  O  O35  1  0.67483000  0.61380500  0.38051800  1
  O  O36  1  0.66787000  0.05520000  0.92890700  1
  O  O37  1  0.81441800  0.43791400  0.07855600  1
  O  O38  1  0.78402700  0.86501600  0.62877100  1
  O  O39  1  0.76743900  0.12200500  0.57249800  1
  O  O40  1  0.81213300  0.19415100  0.16882500  1
  O  O41  1  0.91324500  0.84708400  0.12705500  1
  O  O42  1  0.91868900  0.51000600  0.67387200  1
