# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25863300
_cell_length_b   9.11930639
_cell_length_c   10.09415935
_cell_angle_alpha   88.89722614
_cell_angle_beta   89.25334048
_cell_angle_gamma   89.04324430
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   483.87002938
_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  0.18128400  0.16910100  0.15552000  1
  Li  Li1  1  0.32599900  0.32875100  0.41694300  1
  Li  Li2  1  0.32890200  0.32935700  0.90575800  1
  Li  Li3  1  0.82876800  0.82720800  0.90005000  1
  Fe  Fe4  1  0.16707900  0.83642300  0.63152800  1
  Fe  Fe5  1  0.18065100  0.50757200  0.12830300  1
  Fe  Fe6  1  0.31447900  0.00328400  0.87424300  1
  Fe  Fe7  1  0.33251100  0.66922700  0.37577200  1
  Fe  Fe8  1  0.67913400  0.33519000  0.63311300  1
  Fe  Fe9  1  0.66854000  0.99644300  0.13305400  1
  Fe  Fe10  1  0.83942000  0.14914100  0.38427800  1
  Fe  Fe11  1  0.82178100  0.50390000  0.88106700  1
  B  B12  1  0.16689000  0.50059400  0.62212700  1
  B  B13  1  0.16567900  0.83994600  0.13069400  1
  B  B14  1  0.34483000  0.99843300  0.37543800  1
  B  B15  1  0.33317000  0.66635900  0.87640700  1
  B  B16  1  0.66179500  0.99956600  0.63313200  1
  B  B17  1  0.67608800  0.32420100  0.12261900  1
  B  B18  1  0.82966900  0.49586400  0.37960600  1
  B  B19  1  0.82258800  0.16704800  0.88070300  1
  O  O20  1  0.09489600  0.49636800  0.34989500  1
  O  O21  1  0.08075700  0.17528300  0.88792100  1
  O  O22  1  0.18398400  0.79026900  0.83657100  1
  O  O23  1  0.23281300  0.87232100  0.42809500  1
  O  O24  1  0.21460000  0.13042300  0.36396300  1
  O  O25  1  0.20805700  0.53814700  0.91383800  1
  O  O26  1  0.32537400  0.37973500  0.61534600  1
  O  O27  1  0.30890400  0.96423600  0.09616100  1
  O  O28  1  0.25439400  0.63718300  0.57845500  1
  O  O29  1  0.28204100  0.71505600  0.18193500  1
  O  O30  1  0.41277200  0.32563600  0.11579400  1
  O  O31  1  0.40458000  0.99067600  0.66573100  1
  O  O32  1  0.59409100  0.98869800  0.32829000  1
  O  O33  1  0.58999700  0.67586500  0.87994500  1
  O  O34  1  0.67581300  0.28815000  0.83350900  1
  O  O35  1  0.72219700  0.36291900  0.42385500  1
  O  O36  1  0.68028000  0.61760800  0.36785000  1
  O  O37  1  0.69218400  0.04103600  0.92346400  1
  O  O38  1  0.82081600  0.44074700  0.08478900  1
  O  O39  1  0.82033600  0.88166000  0.64596500  1
  O  O40  1  0.75466300  0.13413000  0.58829600  1
  O  O41  1  0.80380200  0.19264800  0.16430300  1
  O  O42  1  0.91074900  0.84525400  0.10632100  1
  O  O43  1  0.91901700  0.48715400  0.66744600  1
