# generated using pymatgen
data_Li5Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27166700
_cell_length_b   9.04378802
_cell_length_c   11.42009248
_cell_angle_alpha   113.07253968
_cell_angle_beta   102.26797147
_cell_angle_gamma   89.82328080
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Fe8(BO3)8
_chemical_formula_sum   'Li5 Fe8 B8 O24'
_cell_volume   487.52108323
_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  0.16785500  0.84801300  0.66258000  1
  Li  Li1  1  0.35445200  0.70187100  0.39995000  1
  Li  Li2  1  0.60695400  0.94584200  0.90519400  1
  Li  Li3  1  0.92021400  0.56924800  0.15907200  1
  Li  Li4  1  0.42724100  0.07397200  0.16346200  1
  Fe  Fe5  1  0.40440400  0.72735800  0.12952900  1
  Fe  Fe6  1  0.08808400  0.76825700  0.87808300  1
  Fe  Fe7  1  0.84281800  0.86683700  0.38853300  1
  Fe  Fe8  1  0.65563200  0.63501000  0.62290300  1
  Fe  Fe9  1  0.35351800  0.34567300  0.38111900  1
  Fe  Fe10  1  0.14578100  0.16995100  0.63429900  1
  Fe  Fe11  1  0.90989500  0.22620000  0.13388100  1
  Fe  Fe12  1  0.60284000  0.27319000  0.87314700  1
  B  B13  1  0.64889500  0.97709100  0.63602800  1
  B  B14  1  0.88716300  0.88919100  0.12403300  1
  B  B15  1  0.14344900  0.49403800  0.62815100  1
  B  B16  1  0.40810600  0.39513200  0.12553300  1
  B  B17  1  0.85805400  0.52491400  0.37464500  1
  B  B18  1  0.59954000  0.60676200  0.88011600  1
  B  B19  1  0.34099600  0.01283400  0.37316500  1
  B  B20  1  0.11056000  0.10766300  0.87996300  1
  O  O21  1  0.13295000  0.86924700  0.09533200  1
  O  O22  1  0.44024700  0.85585200  0.32707700  1
  O  O23  1  0.22807900  0.96635700  0.86752100  1
  O  O24  1  0.51023800  0.83436600  0.61958700  1
  O  O25  1  0.88645900  0.96702600  0.60219400  1
  O  O26  1  0.78596700  0.78082000  0.16518600  1
  O  O27  1  0.28468700  0.53607600  0.14308500  1
  O  O28  1  0.03597100  0.64736400  0.66344900  1
  O  O29  1  0.68767700  0.71045900  0.82759700  1
  O  O30  1  0.63055100  0.54657900  0.42431500  1
  O  O31  1  0.97778000  0.65371900  0.36414600  1
  O  O32  1  0.39204200  0.65494000  0.94013700  1
  O  O33  1  0.64155800  0.37813800  0.08291900  1
  O  O34  1  0.37210300  0.48454500  0.58368100  1
  O  O35  1  0.30793300  0.27766400  0.15659900  1
  O  O36  1  0.95993200  0.37846700  0.33326100  1
  O  O37  1  0.71919900  0.47379800  0.87749100  1
  O  O38  1  0.23101000  0.22477500  0.85651600  1
  O  O39  1  0.14431800  0.03159800  0.43660600  1
  O  O40  1  0.45235000  0.12709600  0.34548400  1
  O  O41  1  0.02176700  0.37267600  0.63845300  1
  O  O42  1  0.74363000  0.00863700  0.10421900  1
  O  O43  1  0.54019800  0.12222200  0.68392700  1
  O  O44  1  0.86744900  0.12836100  0.91379100  1
