# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28479600
_cell_length_b   9.07932081
_cell_length_c   11.35869894
_cell_angle_alpha   113.35446625
_cell_angle_beta   102.43510202
_cell_angle_gamma   90.16092631
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   486.25686709
_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  0.17113000  0.83818200  0.65874700  1
  Li  Li1  1  0.60867100  0.95096600  0.91512800  1
  Li  Li2  1  0.93451600  0.56917200  0.16654700  1
  Li  Li3  1  0.67142700  0.34360900  0.65799600  1
  Fe  Fe4  1  0.40622000  0.72993600  0.13135000  1
  Fe  Fe5  1  0.09675400  0.76802200  0.88293600  1
  Fe  Fe6  1  0.84091300  0.85869500  0.37673600  1
  Fe  Fe7  1  0.65021500  0.65527600  0.62204700  1
  Fe  Fe8  1  0.34991700  0.35066700  0.36851000  1
  Fe  Fe9  1  0.15524600  0.15546400  0.63274400  1
  Fe  Fe10  1  0.90317000  0.21811700  0.13450100  1
  Fe  Fe11  1  0.60231500  0.28465900  0.88804000  1
  B  B12  1  0.64119000  0.98888100  0.62855800  1
  B  B13  1  0.89011600  0.88872700  0.12318900  1
  B  B14  1  0.15433000  0.48108400  0.62787900  1
  B  B15  1  0.40365400  0.40257800  0.13312400  1
  B  B16  1  0.85043200  0.51819000  0.37619500  1
  B  B17  1  0.59954600  0.61098700  0.87037100  1
  B  B18  1  0.35425100  0.02543400  0.38502400  1
  B  B19  1  0.09081100  0.09569300  0.87029600  1
  O  O20  1  0.11359000  0.85401800  0.07461500  1
  O  O21  1  0.47436500  0.88353600  0.34508600  1
  O  O22  1  0.21456600  0.95598700  0.86016300  1
  O  O23  1  0.51585400  0.86364300  0.63629400  1
  O  O24  1  0.88221500  0.97178800  0.58998400  1
  O  O25  1  0.81630100  0.78766100  0.18098200  1
  O  O26  1  0.26811100  0.52826500  0.12979400  1
  O  O27  1  0.05654600  0.63331900  0.67125700  1
  O  O28  1  0.71740300  0.72703200  0.83915900  1
  O  O29  1  0.62675800  0.51939600  0.42069200  1
  O  O30  1  0.94096600  0.65317700  0.36484900  1
  O  O31  1  0.38129000  0.65272500  0.92085600  1
  O  O32  1  0.64394800  0.38059800  0.09622300  1
  O  O33  1  0.38418500  0.46285200  0.58542000  1
  O  O34  1  0.30316900  0.29167500  0.17377700  1
  O  O35  1  0.98243000  0.38108200  0.34392600  1
  O  O36  1  0.69839000  0.46875300  0.85123500  1
  O  O37  1  0.20137500  0.19777300  0.82532300  1
  O  O38  1  0.12925600  0.02548400  0.43351300  1
  O  O39  1  0.45348500  0.16032700  0.38147800  1
  O  O40  1  0.02374700  0.35116600  0.63148000  1
  O  O41  1  0.74596600  0.00592500  0.10907300  1
  O  O42  1  0.53912500  0.13829100  0.65863300  1
  O  O43  1  0.86588400  0.12315300  0.91515000  1
