# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28834000
_cell_length_b   9.05949865
_cell_length_c   10.22247582
_cell_angle_alpha   89.07905641
_cell_angle_beta   88.70984311
_cell_angle_gamma   89.58674197
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   489.55693984
_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  0.65395400  0.98536400  0.83757400  1
  Li  Li1  1  0.34135900  0.99405500  0.09729000  1
  Li  Li2  1  0.85110900  0.50156400  0.60509100  1
  Li  Li3  1  0.65199800  0.01229300  0.33584000  1
  Fe  Fe4  1  0.84675700  0.83181200  0.11203000  1
  Fe  Fe5  1  0.15880700  0.82202800  0.36652600  1
  Fe  Fe6  1  0.66687000  0.65223000  0.87162900  1
  Fe  Fe7  1  0.34245200  0.67409200  0.62732700  1
  Fe  Fe8  1  0.66435200  0.35253800  0.36589600  1
  Fe  Fe9  1  0.84408100  0.16546200  0.61836200  1
  Fe  Fe10  1  0.33684200  0.33526000  0.12559200  1
  Fe  Fe11  1  0.15000000  0.16959000  0.87144400  1
  B  B12  1  0.83965000  0.82883400  0.62131300  1
  B  B13  1  0.67906400  0.67781700  0.38519200  1
  B  B14  1  0.16858900  0.84254500  0.87028200  1
  B  B15  1  0.34916300  0.66508100  0.12490500  1
  B  B16  1  0.65539900  0.32189800  0.86370000  1
  B  B17  1  0.33625200  0.33817500  0.61807800  1
  B  B18  1  0.82651600  0.17130800  0.12883400  1
  B  B19  1  0.16122800  0.15741500  0.36772100  1
  O  O20  1  0.73629200  0.96463900  0.64281000  1
  O  O21  1  0.91174100  0.83578000  0.90170100  1
  O  O22  1  0.30573600  0.96728300  0.89916000  1
  O  O23  1  0.79493300  0.80729000  0.33566300  1
  O  O24  1  0.70852200  0.69994300  0.65311500  1
  O  O25  1  0.22039900  0.79404200  0.17223000  1
  O  O26  1  0.08142200  0.81296000  0.56636500  1
  O  O27  1  0.58350300  0.68412900  0.06860400  1
  O  O28  1  0.80445500  0.54891400  0.40004700  1
  O  O29  1  0.42597400  0.69290900  0.42650600  1
  O  O30  1  0.29382200  0.72319800  0.81275700  1
  O  O31  1  0.76692500  0.45066600  0.83297800  1
  O  O32  1  0.23341400  0.53225100  0.13723600  1
  O  O33  1  0.69882300  0.29980600  0.16325800  1
  O  O34  1  0.59193600  0.32058700  0.58077900  1
  O  O35  1  0.22656900  0.47548300  0.61961400  1
  O  O36  1  0.42755700  0.30612100  0.93367800  1
  O  O37  1  0.90812400  0.16414300  0.41625000  1
  O  O38  1  0.77301100  0.18849600  0.81846000  1
  O  O39  1  0.29090100  0.28227100  0.32743400  1
  O  O40  1  0.19353600  0.21476800  0.65453900  1
  O  O41  1  0.70307800  0.03738600  0.13656500  1
  O  O42  1  0.08207800  0.17644800  0.09012800  1
  O  O43  1  0.27995600  0.02112700  0.35701200  1
