# generated using pymatgen
data_LiFe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25182500
_cell_length_b   9.13413937
_cell_length_c   11.47883962
_cell_angle_alpha   113.13567667
_cell_angle_beta   101.99177443
_cell_angle_gamma   90.92618043
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(BO3)4
_chemical_formula_sum   'Li2 Fe8 B8 O24'
_cell_volume   492.37884118
_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  0.51036000  0.84468200  0.34013100  1
  Li  Li1  1  0.22987600  0.59074600  0.83692700  1
  Fe  Fe2  1  0.98490100  0.97944800  0.62546900  1
  Fe  Fe3  1  0.73251500  0.05151700  0.11448700  1
  Fe  Fe4  1  0.51158100  0.51705600  0.37118200  1
  Fe  Fe5  1  0.76500400  0.43769400  0.87700800  1
  Fe  Fe6  1  0.22620300  0.55169200  0.11980800  1
  Fe  Fe7  1  0.49130000  0.46887800  0.62150300  1
  Fe  Fe8  1  0.02042100  0.02766600  0.36849600  1
  Fe  Fe9  1  0.26211000  0.94544800  0.87500400  1
  B  B10  1  0.97918500  0.30888600  0.62632200  1
  B  B11  1  0.74305200  0.73498600  0.12866700  1
  B  B12  1  0.53283000  0.18264600  0.37416500  1
  B  B13  1  0.76325100  0.75880000  0.87303300  1
  B  B14  1  0.46946200  0.80463600  0.61557000  1
  B  B15  1  0.23674500  0.22674900  0.12857700  1
  B  B16  1  0.01866200  0.69386000  0.37581400  1
  B  B17  1  0.26167700  0.27131300  0.86364600  1
  O  O18  1  0.97811200  0.20540100  0.12341000  1
  O  O19  1  0.89349500  0.88605000  0.17447700  1
  O  O20  1  0.85848900  0.59929800  0.06266600  1
  O  O21  1  0.85521300  0.57308100  0.36782300  1
  O  O22  1  0.93741600  0.85044400  0.41610600  1
  O  O23  1  0.75420400  0.15720800  0.32392400  1
  O  O24  1  0.75312000  0.34120200  0.67305100  1
  O  O25  1  0.50656900  0.72873100  0.15401300  1
  O  O26  1  0.36910000  0.38110200  0.18345400  1
  O  O27  1  0.52660700  0.64359700  0.56929300  1
  O  O28  1  0.63752700  0.91835700  0.61494900  1
  O  O29  1  0.37239900  0.09633100  0.07720600  1
  O  O30  1  0.63842600  0.89404300  0.92616500  1
  O  O31  1  0.38261800  0.05819700  0.37283300  1
  O  O32  1  0.46787600  0.33910500  0.42799000  1
  O  O33  1  0.59957600  0.60884400  0.82375900  1
  O  O34  1  0.52158600  0.28290800  0.86897800  1
  O  O35  1  0.26215500  0.67568700  0.34421200  1
  O  O36  1  0.24014800  0.83855000  0.65718900  1
  O  O37  1  0.02337500  0.15041900  0.56317300  1
  O  O38  1  0.15557000  0.43193600  0.64702100  1
  O  O39  1  0.14266300  0.41466300  0.90718800  1
  O  O40  1  0.11115000  0.12513400  0.81639500  1
  O  O41  1  0.01314400  0.75901400  0.86459500  1
