# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93649800
_cell_length_b   5.28321300
_cell_length_c   10.34232958
_cell_angle_alpha   88.83616908
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   488.19604153
_cell_formula_units_Z   4
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  0.99078700  0.65832400  0.83658000  1
  Li  Li1  1  0.99532100  0.34301300  0.08614700  1
  Li  Li2  1  0.00921300  0.65832400  0.33658000  1
  Li  Li3  1  0.00467900  0.34301300  0.58614700  1
  Fe  Fe4  1  0.82178900  0.85128400  0.11888300  1
  Fe  Fe5  1  0.82497500  0.14837100  0.36970700  1
  Fe  Fe6  1  0.65876100  0.66682000  0.86623500  1
  Fe  Fe7  1  0.66376500  0.33876500  0.62525500  1
  Fe  Fe8  1  0.34123900  0.66682000  0.36623500  1
  Fe  Fe9  1  0.17821100  0.85128400  0.61888300  1
  Fe  Fe10  1  0.33623500  0.33876500  0.12525500  1
  Fe  Fe11  1  0.17502500  0.14837100  0.86970700  1
  B  B12  1  0.83251500  0.82828500  0.63109900  1
  B  B13  1  0.67477500  0.65850700  0.37710000  1
  B  B14  1  0.83488100  0.17685500  0.86918000  1
  B  B15  1  0.67075500  0.34353000  0.11580500  1
  B  B16  1  0.32522500  0.65850700  0.87710000  1
  B  B17  1  0.32924500  0.34353000  0.61580500  1
  B  B18  1  0.16748500  0.82828500  0.13109900  1
  B  B19  1  0.16511900  0.17685500  0.36918000  1
  O  O20  1  0.96597500  0.69813500  0.63323500  1
  O  O21  1  0.82612400  0.91607400  0.89670300  1
  O  O22  1  0.96616000  0.30406500  0.89051700  1
  O  O23  1  0.80351000  0.77858400  0.32899100  1
  O  O24  1  0.70168500  0.70287100  0.66973500  1
  O  O25  1  0.80180100  0.22146500  0.15897500  1
  O  O26  1  0.82611600  0.08244600  0.59309300  1
  O  O27  1  0.68912700  0.57789000  0.05330300  1
  O  O28  1  0.53939500  0.77053800  0.36307500  1
  O  O29  1  0.69301200  0.42423300  0.43846700  1
  O  O30  1  0.70945000  0.30730100  0.82359000  1
  O  O31  1  0.46060500  0.77053800  0.86307500  1
  O  O32  1  0.53432700  0.23622000  0.13507900  1
  O  O33  1  0.29831500  0.70287100  0.16973500  1
  O  O34  1  0.31087300  0.57789000  0.55330300  1
  O  O35  1  0.46567300  0.23622000  0.63507900  1
  O  O36  1  0.30698800  0.42423300  0.93846700  1
  O  O37  1  0.17387600  0.91607400  0.39670300  1
  O  O38  1  0.19649000  0.77858400  0.82899100  1
  O  O39  1  0.29055000  0.30730100  0.32359000  1
  O  O40  1  0.19819900  0.22146500  0.65897500  1
  O  O41  1  0.03402500  0.69813500  0.13323500  1
  O  O42  1  0.17388400  0.08244600  0.09309300  1
  O  O43  1  0.03384000  0.30406500  0.39051700  1
