# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28081800
_cell_length_b   9.03417854
_cell_length_c   11.28320614
_cell_angle_alpha   113.18386359
_cell_angle_beta   102.11146999
_cell_angle_gamma   89.61918503
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   482.08307097
_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  0.17285200  0.83870300  0.65756200  1
  Li  Li1  1  0.35549700  0.70158300  0.39878200  1
  Li  Li2  1  0.60490600  0.95539800  0.91748800  1
  Li  Li3  1  0.91845500  0.56381200  0.14950300  1
  Fe  Fe4  1  0.40661200  0.74116600  0.13420200  1
  Fe  Fe5  1  0.09210900  0.76265300  0.87612400  1
  Fe  Fe6  1  0.84157500  0.87021900  0.38786300  1
  Fe  Fe7  1  0.66210600  0.64182200  0.62223300  1
  Fe  Fe8  1  0.34876600  0.34731900  0.36932800  1
  Fe  Fe9  1  0.15225700  0.16002700  0.63932000  1
  Fe  Fe10  1  0.90204100  0.21776900  0.13288500  1
  Fe  Fe11  1  0.60650800  0.28474400  0.87942900  1
  B  B12  1  0.63656000  0.98011800  0.62696300  1
  B  B13  1  0.88134600  0.88411100  0.12209200  1
  B  B14  1  0.16062000  0.48345400  0.62652500  1
  B  B15  1  0.41217500  0.40756000  0.13567300  1
  B  B16  1  0.85914800  0.51735500  0.37112900  1
  B  B17  1  0.61428700  0.61857200  0.88382400  1
  B  B18  1  0.34240500  0.02307000  0.38110000  1
  B  B19  1  0.09118400  0.09656800  0.87317600  1
  O  O20  1  0.11213500  0.84731600  0.07693100  1
  O  O21  1  0.44163900  0.86733700  0.33258800  1
  O  O22  1  0.21685900  0.95330100  0.86031600  1
  O  O23  1  0.50172200  0.83769300  0.60583900  1
  O  O24  1  0.88607800  0.97229100  0.59765300  1
  O  O25  1  0.79055800  0.78073900  0.17396200  1
  O  O26  1  0.28948700  0.54889100  0.14345700  1
  O  O27  1  0.06445700  0.63970300  0.67886900  1
  O  O28  1  0.71181600  0.72885800  0.83912000  1
  O  O29  1  0.61718100  0.52777200  0.40737700  1
  O  O30  1  0.97979100  0.64920700  0.36797800  1
  O  O31  1  0.38930800  0.66142000  0.93416600  1
  O  O32  1  0.64628600  0.38327600  0.09694700  1
  O  O33  1  0.36430100  0.47121200  0.56544800  1
  O  O34  1  0.29458900  0.29969600  0.17144400  1
  O  O35  1  0.97248300  0.37098300  0.33978500  1
  O  O36  1  0.73763800  0.49026100  0.88652800  1
  O  O37  1  0.20446100  0.20516800  0.83661000  1
  O  O38  1  0.13620500  0.03541500  0.44202200  1
  O  O39  1  0.44882800  0.14563500  0.36366900  1
  O  O40  1  0.05148700  0.35964400  0.64256400  1
  O  O41  1  0.74693400  0.00480300  0.10700200  1
  O  O42  1  0.52665600  0.12546400  0.66945000  1
  O  O43  1  0.85978600  0.11713200  0.91356100  1
