# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24061526
_cell_length_b   9.15571646
_cell_length_c   11.32480559
_cell_angle_alpha   66.50654905
_cell_angle_beta   77.06653165
_cell_angle_gamma   89.07226698
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   484.07230648
_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  0.96780000  0.96143500  0.40661000  1
  Li  Li1  1  0.70918200  0.73128200  0.90564200  1
  Li  Li2  1  0.51763700  0.49523600  0.65417100  1
  Li  Li3  1  0.23683000  0.24929400  0.15508900  1
  Fe  Fe4  1  0.98359900  0.64106800  0.37594700  1
  Fe  Fe5  1  0.73910100  0.07287900  0.88244600  1
  Fe  Fe6  1  0.50712600  0.85140800  0.63199000  1
  Fe  Fe7  1  0.76794200  0.43633200  0.12785000  1
  Fe  Fe8  1  0.22463500  0.55989600  0.87767400  1
  Fe  Fe9  1  0.47654400  0.15335400  0.38469100  1
  Fe  Fe10  1  0.03536000  0.33671400  0.63031300  1
  Fe  Fe11  1  0.24863500  0.93141600  0.12823400  1
  B  B12  1  0.97874900  0.30562300  0.37550700  1
  B  B13  1  0.73562400  0.39960600  0.87369300  1
  B  B14  1  0.53767200  0.18577300  0.63405900  1
  B  B15  1  0.75781800  0.11279900  0.12880600  1
  B  B16  1  0.47019500  0.81633500  0.38087700  1
  B  B17  1  0.23596200  0.89705900  0.87641100  1
  B  B18  1  0.00968800  0.68187000  0.62570000  1
  B  B19  1  0.26952100  0.59643600  0.12677400  1
  O  O20  1  0.97275700  0.90241700  0.88021000  1
  O  O21  1  0.88736700  0.28570700  0.84719400  1
  O  O22  1  0.83876600  0.49608000  0.92739700  1
  O  O23  1  0.86960400  0.81496000  0.61933100  1
  O  O24  1  0.91426300  0.56629100  0.59601300  1
  O  O25  1  0.75457100  0.14913300  0.68778200  1
  O  O26  1  0.74518400  0.32676800  0.32965800  1
  O  O27  1  0.49462500  0.42223700  0.84909600  1
  O  O28  1  0.38545900  0.79144600  0.82854900  1
  O  O29  1  0.56557500  0.93468300  0.42423400  1
  O  O30  1  0.61162600  0.69381200  0.38501400  1
  O  O31  1  0.36910500  0.98519300  0.92090100  1
  O  O32  1  0.64010200  0.02858800  0.07590800  1
  O  O33  1  0.40841700  0.31565000  0.62613600  1
  O  O34  1  0.45573900  0.08218700  0.57959400  1
  O  O35  1  0.59685600  0.22035900  0.17178900  1
  O  O36  1  0.54001400  0.59920100  0.10664500  1
  O  O37  1  0.25272000  0.67089700  0.66305300  1
  O  O38  1  0.23212800  0.84478000  0.34437300  1
  O  O39  1  0.05957000  0.40381000  0.42361700  1
  O  O40  1  0.12448400  0.18041000  0.36232700  1
  O  O41  1  0.14940600  0.48510600  0.09191400  1
  O  O42  1  0.12866700  0.69763400  0.17078100  1
  O  O43  1  0.00770500  0.10116900  0.14448700  1
