# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25419300
_cell_length_b   9.13929596
_cell_length_c   10.10471982
_cell_angle_alpha   91.11799077
_cell_angle_beta   90.02741542
_cell_angle_gamma   90.04609093
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   485.13226879
_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  0.84694400  0.17204500  0.35501800  1
  Li  Li1  1  0.66424800  0.31938500  0.08945800  1
  Li  Li2  1  0.34492700  0.68104700  0.33799700  1
  Li  Li3  1  0.31135100  0.67371600  0.83407400  1
  Fe  Fe4  1  0.85212400  0.83991600  0.37552200  1
  Fe  Fe5  1  0.81839500  0.48832100  0.85993500  1
  Fe  Fe6  1  0.67224900  0.98623400  0.11917700  1
  Fe  Fe7  1  0.67707500  0.66277200  0.61992600  1
  Fe  Fe8  1  0.34922800  0.34148600  0.37597600  1
  Fe  Fe9  1  0.31353600  0.00553400  0.87129100  1
  Fe  Fe10  1  0.16588800  0.16490000  0.62902500  1
  Fe  Fe11  1  0.16543500  0.49998200  0.11972700  1
  B  B12  1  0.83722800  0.50245000  0.36788400  1
  B  B13  1  0.82818700  0.82779700  0.87352800  1
  B  B14  1  0.66345800  0.99951300  0.61946800  1
  B  B15  1  0.67146700  0.65880600  0.12792400  1
  B  B16  1  0.33944100  0.00317300  0.36752500  1
  B  B17  1  0.32936500  0.33833200  0.87687400  1
  B  B18  1  0.17194800  0.49330400  0.62276700  1
  B  B19  1  0.17101900  0.16726100  0.12384700  1
  O  O20  1  0.91513900  0.50585900  0.65304500  1
  O  O21  1  0.91114900  0.15317400  0.13827400  1
  O  O22  1  0.79129600  0.78916000  0.16163200  1
  O  O23  1  0.75231300  0.86215600  0.57866000  1
  O  O24  1  0.82008500  0.11740000  0.61024900  1
  O  O25  1  0.80938500  0.53593200  0.08613000  1
  O  O26  1  0.72006800  0.37010200  0.35637500  1
  O  O27  1  0.68582300  0.94311900  0.92742100  1
  O  O28  1  0.70415900  0.62683400  0.41496900  1
  O  O29  1  0.68871700  0.70510500  0.82452200  1
  O  O30  1  0.58380300  0.32983700  0.89737100  1
  O  O31  1  0.59412500  0.01312000  0.32183800  1
  O  O32  1  0.41260400  0.01261100  0.66184100  1
  O  O33  1  0.41357700  0.64701600  0.14166000  1
  O  O34  1  0.29008800  0.30229900  0.15379100  1
  O  O35  1  0.26675000  0.36062200  0.57777100  1
  O  O36  1  0.32863000  0.61166200  0.64075400  1
  O  O37  1  0.32438800  0.05412800  0.08146100  1
  O  O38  1  0.19854700  0.46910200  0.91616200  1
  O  O39  1  0.22175700  0.87122000  0.37000600  1
  O  O40  1  0.21366500  0.13108100  0.40964500  1
  O  O41  1  0.18898200  0.22154800  0.82465900  1
  O  O42  1  0.08549000  0.83108500  0.86843400  1
  O  O43  1  0.09258200  0.51827200  0.32751300  1
