# generated using pymatgen
data_Li5Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27140300
_cell_length_b   9.07381103
_cell_length_c   11.36981919
_cell_angle_alpha   113.36190429
_cell_angle_beta   102.28490920
_cell_angle_gamma   89.58585938
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Fe8(BO3)8
_chemical_formula_sum   'Li5 Fe8 B8 O24'
_cell_volume   486.01377510
_cell_formula_units_Z   1
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  0.64713200  0.30556100  0.58661700  1
  Li  Li1  1  0.39042300  0.04582000  0.09228000  1
  Li  Li2  1  0.08256800  0.41174100  0.83908500  1
  Li  Li3  1  0.31209800  0.67814900  0.33225100  1
  Li  Li4  1  0.58136200  0.90559800  0.84045500  1
  Fe  Fe5  1  0.60405400  0.59262300  0.87487100  1
  Fe  Fe6  1  0.89867700  0.89191000  0.12490200  1
  Fe  Fe7  1  0.15965100  0.48293200  0.62014800  1
  Fe  Fe8  1  0.34076300  0.03553500  0.37088100  1
  Fe  Fe9  1  0.65281900  0.97375400  0.61894700  1
  Fe  Fe10  1  0.84198200  0.50854200  0.36563900  1
  Fe  Fe11  1  0.09399100  0.09231500  0.86837300  1
  Fe  Fe12  1  0.39853500  0.39985900  0.11513500  1
  B  B13  1  0.36069400  0.36438100  0.37484600  1
  B  B14  1  0.10901200  0.76858900  0.87845700  1
  B  B15  1  0.84366900  0.84262400  0.36897800  1
  B  B16  1  0.59595900  0.26179700  0.86462900  1
  B  B17  1  0.14393800  0.14626700  0.62402000  1
  B  B18  1  0.39657500  0.74097900  0.12563800  1
  B  B19  1  0.65600400  0.64129900  0.62159700  1
  B  B20  1  0.90388300  0.22081500  0.12477700  1
  O  O21  1  0.87052200  0.79071200  0.91778000  1
  O  O22  1  0.55295500  0.53375500  0.66232200  1
  O  O23  1  0.76682000  0.08416100  0.11563900  1
  O  O24  1  0.49824300  0.24163200  0.38798500  1
  O  O25  1  0.12269100  0.38838100  0.40938500  1
  O  O26  1  0.19845600  0.61676900  0.83515900  1
  O  O27  1  0.74072600  0.38457200  0.86332300  1
  O  O28  1  0.94860900  0.94527500  0.32351200  1
  O  O29  1  0.28168600  0.89027400  0.15647200  1
  O  O30  1  0.38561300  0.11856800  0.58732200  1
  O  O31  1  0.02819900  0.28495500  0.63581000  1
  O  O32  1  0.62182400  0.73006800  0.07910600  1
  O  O33  1  0.35868300  0.28529400  0.90335100  1
  O  O34  1  0.61254300  0.87661500  0.41673700  1
  O  O35  1  0.68597400  0.10538000  0.82412400  1
  O  O36  1  0.02390100  0.03095300  0.65217600  1
  O  O37  1  0.29020800  0.61853800  0.14259700  1
  O  O38  1  0.79346100  0.36643300  0.16953000  1
  O  O39  1  0.86002300  0.59912200  0.56000000  1
  O  O40  1  0.55867900  0.78996900  0.64662000  1
  O  O41  1  0.96496200  0.70736500  0.36542200  1
  O  O42  1  0.25499100  0.90116500  0.88837200  1
  O  O43  1  0.45791100  0.47587300  0.33388900  1
  O  O44  1  0.13798600  0.20695200  0.08488400  1
