# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26611800
_cell_length_b   5.27101683
_cell_length_c   20.16571467
_cell_angle_alpha   91.01306449
_cell_angle_beta   89.92094227
_cell_angle_gamma   119.52984245
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   486.94958699
_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  0.66613500  0.64208800  0.83188100  1
  Li  Li1  1  0.64639900  0.66773700  0.58001000  1
  Li  Li2  1  0.34460300  0.34666300  0.20072700  1
  Li  Li3  1  0.33979700  0.33953700  0.45075200  1
  Fe  Fe4  1  0.99422600  0.68189500  0.18946700  1
  Fe  Fe5  1  0.01300200  0.67351900  0.69088100  1
  Fe  Fe6  1  0.33262500  0.99488000  0.06733200  1
  Fe  Fe7  1  0.31535200  0.00177000  0.56434600  1
  Fe  Fe8  1  0.67682800  0.98982200  0.43854100  1
  Fe  Fe9  1  0.67770800  0.01920400  0.93994200  1
  Fe  Fe10  1  0.99034600  0.33089500  0.31510100  1
  Fe  Fe11  1  0.00821300  0.31541400  0.81327000  1
  B  B12  1  0.00308400  0.33767800  0.06504000  1
  B  B13  1  0.99147900  0.33107400  0.56385700  1
  B  B14  1  0.66803000  0.00392200  0.18998500  1
  B  B15  1  0.67138300  0.00762100  0.68771800  1
  B  B16  1  0.33233900  0.99976100  0.31243200  1
  B  B17  1  0.33594400  0.99602200  0.81446800  1
  B  B18  1  0.00473100  0.66557800  0.43905800  1
  B  B19  1  0.01153300  0.67509600  0.93830000  1
  O  O20  1  0.91885100  0.25967600  0.21184200  1
  O  O21  1  0.89383900  0.27332200  0.71075800  1
  O  O22  1  0.73442400  0.11690600  0.03888100  1
  O  O23  1  0.02225100  0.60055400  0.08402700  1
  O  O24  1  0.73783600  0.07394300  0.54733700  1
  O  O25  1  0.97412700  0.57556400  0.58705900  1
  O  O26  1  0.42850700  0.03332700  0.16779200  1
  O  O27  1  0.73679600  0.64655200  0.44319000  1
  O  O28  1  0.40214000  0.97990200  0.67128200  1
  O  O29  1  0.78579600  0.72760900  0.92754100  1
  O  O30  1  0.65191900  0.74054100  0.18998100  1
  O  O31  1  0.71435200  0.77289400  0.67955200  1
  O  O32  1  0.29582300  0.23927500  0.30819600  1
  O  O33  1  0.35202500  0.26015600  0.81574100  1
  O  O34  1  0.23059900  0.28875700  0.07249500  1
  O  O35  1  0.59741300  0.02913800  0.33336600  1
  O  O36  1  0.26149000  0.35126400  0.55586600  1
  O  O37  1  0.57226700  0.96420300  0.83650800  1
  O  O38  1  0.02958200  0.42080100  0.41816300  1
  O  O39  1  0.98342600  0.40857400  0.91818200  1
  O  O40  1  0.25788900  0.92268900  0.45762000  1
  O  O41  1  0.27529300  0.88988700  0.96522600  1
  O  O42  1  0.10753900  0.72742800  0.29369800  1
  O  O43  1  0.07920900  0.74400700  0.79183400  1
