# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24702400
_cell_length_b   9.14558830
_cell_length_c   11.36373894
_cell_angle_alpha   112.88918305
_cell_angle_beta   103.08066429
_cell_angle_gamma   89.98534651
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   486.99267782
_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  0.02875300  0.03299300  0.39715000  1
  Li  Li1  1  0.48324400  0.50710400  0.65774600  1
  Li  Li2  1  0.98838100  0.01049800  0.66659500  1
  Li  Li3  1  0.76526700  0.74817000  0.15883300  1
  Fe  Fe4  1  0.01785900  0.35995100  0.37432000  1
  Fe  Fe5  1  0.27243600  0.93334100  0.88453000  1
  Fe  Fe6  1  0.47146000  0.15295600  0.62837100  1
  Fe  Fe7  1  0.23639300  0.56156900  0.13113900  1
  Fe  Fe8  1  0.77037900  0.42975300  0.87540300  1
  Fe  Fe9  1  0.52776000  0.84257900  0.38608000  1
  Fe  Fe10  1  0.96368500  0.65818700  0.62817900  1
  Fe  Fe11  1  0.74967200  0.06948600  0.12914100  1
  B  B12  1  0.02583700  0.68398300  0.37294400  1
  B  B13  1  0.26303100  0.60076500  0.87597800  1
  B  B14  1  0.48047700  0.82069800  0.63556500  1
  B  B15  1  0.23805300  0.88801500  0.12818800  1
  B  B16  1  0.51439200  0.18601900  0.37924500  1
  B  B17  1  0.76706300  0.10081100  0.87579600  1
  B  B18  1  0.97603300  0.31464400  0.62183700  1
  B  B19  1  0.72933300  0.40423600  0.13079300  1
  O  O20  1  0.01299000  0.07063800  0.85734400  1
  O  O21  1  0.13806700  0.71405800  0.83824800  1
  O  O22  1  0.13441800  0.51678900  0.92947000  1
  O  O23  1  0.08296700  0.17256600  0.60850300  1
  O  O24  1  0.08489800  0.42321600  0.58354300  1
  O  O25  1  0.24525400  0.85627800  0.67702600  1
  O  O26  1  0.24770100  0.65416400  0.32267800  1
  O  O27  1  0.50779300  0.56579000  0.85628800  1
  O  O28  1  0.64081700  0.21795300  0.84036200  1
  O  O29  1  0.42563500  0.07068800  0.41692900  1
  O  O30  1  0.36573600  0.30704800  0.37642400  1
  O  O31  1  0.63669700  0.01524000  0.92488600  1
  O  O32  1  0.35146200  0.98067500  0.07801600  1
  O  O33  1  0.59264300  0.68607700  0.63301200  1
  O  O34  1  0.59479500  0.92660100  0.59533100  1
  O  O35  1  0.39356300  0.77528100  0.16070100  1
  O  O36  1  0.47130500  0.40940400  0.12641000  1
  O  O37  1  0.75252100  0.35066400  0.67385400  1
  O  O38  1  0.76398100  0.17751900  0.34900500  1
  O  O39  1  0.94203300  0.58227200  0.42311300  1
  O  O40  1  0.89542500  0.81393100  0.36916700  1
  O  O41  1  0.84795400  0.50499300  0.08367200  1
  O  O42  1  0.88318300  0.30779700  0.17950700  1
  O  O43  1  0.98957900  0.90308400  0.14755600  1
