# generated using pymatgen
data_LiFe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25212600
_cell_length_b   9.14993445
_cell_length_c   11.41173944
_cell_angle_alpha   113.35232760
_cell_angle_beta   103.11320385
_cell_angle_gamma   89.01086834
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(BO3)4
_chemical_formula_sum   'Li2 Fe8 B8 O24'
_cell_volume   488.73529273
_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  0.27688000  0.27311500  0.89220400  1
  Li  Li1  1  0.26056700  0.24733100  0.15539600  1
  Fe  Fe2  1  0.00975400  0.35000200  0.37971800  1
  Fe  Fe3  1  0.26339900  0.92944800  0.87501500  1
  Fe  Fe4  1  0.48853900  0.15068500  0.62897700  1
  Fe  Fe5  1  0.23762000  0.57421900  0.13113500  1
  Fe  Fe6  1  0.77343000  0.44252600  0.88090000  1
  Fe  Fe7  1  0.51956700  0.85256100  0.37790800  1
  Fe  Fe8  1  0.98363700  0.64878700  0.62943700  1
  Fe  Fe9  1  0.73123400  0.05857700  0.12210500  1
  B  B10  1  0.02923300  0.68629500  0.37997100  1
  B  B11  1  0.26869900  0.59675100  0.87128200  1
  B  B12  1  0.47296600  0.81301300  0.62543400  1
  B  B13  1  0.23635900  0.90611400  0.13518300  1
  B  B14  1  0.52100000  0.18276900  0.37289400  1
  B  B15  1  0.77033400  0.11820500  0.88458600  1
  B  B16  1  0.97937900  0.31564000  0.63259100  1
  B  B17  1  0.73321000  0.38317900  0.11927200  1
  O  O18  1  0.02799900  0.11932800  0.89027000  1
  O  O19  1  0.11699700  0.69677300  0.82534500  1
  O  O20  1  0.14945300  0.49643300  0.91433200  1
  O  O21  1  0.15188500  0.21013900  0.64930500  1
  O  O22  1  0.02557800  0.41479200  0.57203800  1
  O  O23  1  0.23968200  0.82459100  0.66591900  1
  O  O24  1  0.26284900  0.67472100  0.33936000  1
  O  O25  1  0.52844400  0.58883800  0.87518200  1
  O  O26  1  0.60838500  0.21789100  0.83341700  1
  O  O27  1  0.47712500  0.08649300  0.43525800  1
  O  O28  1  0.34379800  0.28514900  0.35125500  1
  O  O29  1  0.64054600  0.02840500  0.93157000  1
  O  O30  1  0.35593300  0.00745200  0.09312400  1
  O  O31  1  0.63979300  0.70126100  0.63116300  1
  O  O32  1  0.53314300  0.92523800  0.57764800  1
  O  O33  1  0.38689600  0.80643900  0.18196100  1
  O  O34  1  0.47030900  0.37847100  0.10793000  1
  O  O35  1  0.75149400  0.33083400  0.67858000  1
  O  O36  1  0.74851800  0.16984900  0.32705300  1
  O  O37  1  0.96916000  0.57465500  0.42830300  1
  O  O38  1  0.86147600  0.79733700  0.37327100  1
  O  O39  1  0.86208300  0.47361000  0.07341900  1
  O  O40  1  0.89172000  0.28647800  0.17411000  1
  O  O41  1  0.97600700  0.91312600  0.13011000  1
