# generated using pymatgen
data_LiFe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32594600
_cell_length_b   8.97087984
_cell_length_c   10.17064144
_cell_angle_alpha   89.68941254
_cell_angle_beta   89.06475540
_cell_angle_gamma   89.94046165
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(BO3)4
_chemical_formula_sum   'Li2 Fe8 B8 O24'
_cell_volume   485.86510054
_cell_formula_units_Z   2
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  0.65253000  0.99168900  0.84255100  1
  Li  Li1  1  0.34044200  0.99836600  0.10402100  1
  Fe  Fe2  1  0.84223000  0.83504400  0.12426000  1
  Fe  Fe3  1  0.16108300  0.83090100  0.37194800  1
  Fe  Fe4  1  0.66605100  0.65829600  0.87183200  1
  Fe  Fe5  1  0.34105100  0.66508200  0.62286900  1
  Fe  Fe6  1  0.66383300  0.33444100  0.37018800  1
  Fe  Fe7  1  0.84697400  0.16986000  0.62003700  1
  Fe  Fe8  1  0.33713500  0.33917800  0.12456300  1
  Fe  Fe9  1  0.15276100  0.16814100  0.87179200  1
  B  B10  1  0.83726900  0.82860800  0.62727900  1
  B  B11  1  0.67230700  0.67103000  0.37655900  1
  B  B12  1  0.17523100  0.83106500  0.87195000  1
  B  B13  1  0.34170800  0.67035800  0.12143600  1
  B  B14  1  0.65839200  0.32809200  0.87252700  1
  B  B15  1  0.33425600  0.32858100  0.61837100  1
  B  B16  1  0.82550400  0.16902300  0.12313500  1
  B  B17  1  0.16948400  0.16940000  0.36838100  1
  O  O18  1  0.74311200  0.96831800  0.64703100  1
  O  O19  1  0.91743400  0.81921000  0.90097200  1
  O  O20  1  0.29890600  0.96235900  0.89462600  1
  O  O21  1  0.81060600  0.79391600  0.33325800  1
  O  O22  1  0.69843900  0.70357100  0.66749700  1
  O  O23  1  0.22224800  0.80025700  0.16994100  1
  O  O24  1  0.07727600  0.80787100  0.57197600  1
  O  O25  1  0.57529100  0.68825300  0.06039600  1
  O  O26  1  0.76640800  0.53114700  0.36979700  1
  O  O27  1  0.42894800  0.69649400  0.42783600  1
  O  O28  1  0.30588500  0.70725700  0.82305500  1
  O  O29  1  0.77437100  0.46210200  0.86020300  1
  O  O30  1  0.22889800  0.53562400  0.13486700  1
  O  O31  1  0.70014100  0.29577600  0.17123700  1
  O  O32  1  0.57593400  0.30270100  0.56597700  1
  O  O33  1  0.23929700  0.46812000  0.62543500  1
  O  O34  1  0.42676200  0.31089400  0.93478700  1
  O  O35  1  0.92775200  0.19138800  0.42261400  1
  O  O36  1  0.77515700  0.19927200  0.82064500  1
  O  O37  1  0.30583400  0.29480700  0.32663100  1
  O  O38  1  0.19572500  0.20592900  0.66293200  1
  O  O39  1  0.69918900  0.03866800  0.10492600  1
  O  O40  1  0.08270900  0.17987800  0.09102600  1
  O  O41  1  0.26555500  0.03025200  0.35470700  1
