# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31321100
_cell_length_b   9.07500240
_cell_length_c   11.34313723
_cell_angle_alpha   113.53430493
_cell_angle_beta   102.38012411
_cell_angle_gamma   89.83331486
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   487.68986526
_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  0.64690300  0.29056300  0.58311500  1
  Li  Li1  1  0.38705600  0.04942400  0.09754300  1
  Li  Li2  1  0.89222800  0.54667000  0.09719000  1
  Li  Li3  1  0.57632500  0.90827300  0.84186700  1
  Fe  Fe4  1  0.59636600  0.58894600  0.87162200  1
  Fe  Fe5  1  0.89731500  0.90260000  0.12192400  1
  Fe  Fe6  1  0.15492300  0.48457300  0.62366800  1
  Fe  Fe7  1  0.34152000  0.01326000  0.36835400  1
  Fe  Fe8  1  0.65201300  0.96294800  0.61661300  1
  Fe  Fe9  1  0.84696000  0.51436500  0.36707300  1
  Fe  Fe10  1  0.09183500  0.10664900  0.86651600  1
  Fe  Fe11  1  0.39433500  0.40590800  0.12400900  1
  B  B12  1  0.35944000  0.35514100  0.37607600  1
  B  B13  1  0.09400200  0.77553700  0.86745500  1
  B  B14  1  0.84731300  0.85136000  0.36801800  1
  B  B15  1  0.60660600  0.25980200  0.87844200  1
  B  B16  1  0.15354100  0.15380700  0.62396200  1
  B  B17  1  0.39756100  0.73194600  0.12323300  1
  B  B18  1  0.64805100  0.63241000  0.62358900  1
  B  B19  1  0.89249500  0.22772500  0.11951300  1
  O  O20  1  0.86168600  0.78257100  0.90533000  1
  O  O21  1  0.53704900  0.51179300  0.65135600  1
  O  O22  1  0.74696100  0.09964900  0.11302800  1
  O  O23  1  0.46008400  0.21808800  0.38063900  1
  O  O24  1  0.13639000  0.40400900  0.42197400  1
  O  O25  1  0.20592400  0.63171100  0.81499600  1
  O  O26  1  0.73365900  0.39529800  0.88810400  1
  O  O27  1  0.97767500  0.95579000  0.33374500  1
  O  O28  1  0.30778600  0.88924700  0.16538300  1
  O  O29  1  0.38192400  0.11971300  0.57907200  1
  O  O30  1  0.02739200  0.28557300  0.61998500  1
  O  O31  1  0.63146600  0.71260000  0.08414700  1
  O  O32  1  0.37435000  0.26611000  0.91699200  1
  O  O33  1  0.62517300  0.89873000  0.41492200  1
  O  O34  1  0.71327800  0.11002300  0.83714900  1
  O  O35  1  0.04828800  0.05470300  0.67218900  1
  O  O36  1  0.25304300  0.60579600  0.11922400  1
  O  O37  1  0.81026000  0.38412200  0.16572600  1
  O  O38  1  0.86293800  0.59238000  0.56765800  1
  O  O39  1  0.55606000  0.77783400  0.65185000  1
  O  O40  1  0.93321400  0.70631000  0.35523500  1
  O  O41  1  0.23282500  0.91682500  0.88577700  1
  O  O42  1  0.48007800  0.44884100  0.32994000  1
  O  O43  1  0.12525900  0.20754700  0.07770200  1
