# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27757800
_cell_length_b   9.05639125
_cell_length_c   11.30593421
_cell_angle_alpha   113.23796815
_cell_angle_beta   101.96134284
_cell_angle_gamma   90.09029899
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   483.66428345
_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  0.35021900  0.71677800  0.41192400  1
  Li  Li1  1  0.60373600  0.95649500  0.91659800  1
  Li  Li2  1  0.92511300  0.56742300  0.16030700  1
  Li  Li3  1  0.68247500  0.34164400  0.66008800  1
  Fe  Fe4  1  0.40482500  0.73726400  0.12910000  1
  Fe  Fe5  1  0.09725100  0.76333600  0.87063800  1
  Fe  Fe6  1  0.84150800  0.86058600  0.38362800  1
  Fe  Fe7  1  0.65745500  0.66273700  0.62699700  1
  Fe  Fe8  1  0.35292400  0.34990700  0.37424600  1
  Fe  Fe9  1  0.15788600  0.14378500  0.63524800  1
  Fe  Fe10  1  0.90383300  0.21886400  0.13532900  1
  Fe  Fe11  1  0.59741800  0.28378300  0.88512200  1
  B  B12  1  0.63754000  0.98949600  0.62431200  1
  B  B13  1  0.88489500  0.88106900  0.11890700  1
  B  B14  1  0.15965600  0.47314100  0.62962500  1
  B  B15  1  0.40972300  0.40868100  0.13689800  1
  B  B16  1  0.85882200  0.51915800  0.37607100  1
  B  B17  1  0.60600300  0.61566500  0.87467600  1
  B  B18  1  0.34512200  0.02314600  0.37868200  1
  B  B19  1  0.09143900  0.09507300  0.87520600  1
  O  O20  1  0.11473900  0.84397600  0.07433900  1
  O  O21  1  0.43967900  0.86876600  0.32679200  1
  O  O22  1  0.22315200  0.96317800  0.87838600  1
  O  O23  1  0.50090800  0.85209500  0.60706500  1
  O  O24  1  0.87560400  0.98080700  0.58991800  1
  O  O25  1  0.78703700  0.77331000  0.16431000  1
  O  O26  1  0.28275200  0.54342400  0.13732500  1
  O  O27  1  0.05183000  0.62098800  0.67672900  1
  O  O28  1  0.71344800  0.73312800  0.84119200  1
  O  O29  1  0.61712700  0.53191800  0.41250900  1
  O  O30  1  0.97398500  0.64653500  0.36326700  1
  O  O31  1  0.38874100  0.65694500  0.93017700  1
  O  O32  1  0.64600100  0.38435900  0.09882700  1
  O  O33  1  0.38991800  0.46239700  0.58360000  1
  O  O34  1  0.29579900  0.30316300  0.17701300  1
  O  O35  1  0.97764100  0.37637500  0.35067500  1
  O  O36  1  0.70570500  0.47385900  0.85424500  1
  O  O37  1  0.20416900  0.19798500  0.83191000  1
  O  O38  1  0.13833200  0.03345200  0.43693900  1
  O  O39  1  0.46364500  0.15256900  0.37260900  1
  O  O40  1  0.03842000  0.34249900  0.63425500  1
  O  O41  1  0.75782000  0.00626800  0.11088900  1
  O  O42  1  0.53962700  0.14137600  0.66687700  1
  O  O43  1  0.85817700  0.12183800  0.91503600  1
