# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28720400
_cell_length_b   9.07107530
_cell_length_c   11.35973081
_cell_angle_alpha   113.32724798
_cell_angle_beta   102.85652251
_cell_angle_gamma   89.80543182
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   485.55460285
_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  0.60044600  0.94498500  0.90416900  1
  Li  Li1  1  0.93511400  0.56976300  0.16549800  1
  Li  Li2  1  0.67496300  0.33297600  0.65221500  1
  Fe  Fe3  1  0.40625000  0.73489000  0.12670800  1
  Fe  Fe4  1  0.09838500  0.77451400  0.87566100  1
  Fe  Fe5  1  0.84768300  0.85996600  0.38350100  1
  Fe  Fe6  1  0.65130400  0.65338500  0.62837500  1
  Fe  Fe7  1  0.34929000  0.35356600  0.37294400  1
  Fe  Fe8  1  0.15280900  0.15018400  0.62885300  1
  Fe  Fe9  1  0.90191400  0.21489700  0.13188700  1
  Fe  Fe10  1  0.59367500  0.27406500  0.88015000  1
  B  B11  1  0.65189500  0.98553200  0.63321800  1
  B  B12  1  0.88935700  0.88346600  0.12361600  1
  B  B13  1  0.13853400  0.48227800  0.62495900  1
  B  B14  1  0.40498200  0.40605800  0.13009300  1
  B  B15  1  0.84986100  0.51882100  0.37867400  1
  B  B16  1  0.59444300  0.60397100  0.87183500  1
  B  B17  1  0.35356100  0.02058100  0.37501500  1
  B  B18  1  0.10901200  0.10908200  0.88190300  1
  O  O19  1  0.12057700  0.85017300  0.08544100  1
  O  O20  1  0.47366200  0.87785400  0.32562200  1
  O  O21  1  0.23438700  0.98005700  0.88552800  1
  O  O22  1  0.54755400  0.85945100  0.64850300  1
  O  O23  1  0.85644200  0.96993300  0.57235600  1
  O  O24  1  0.79566400  0.77756000  0.17244900  1
  O  O25  1  0.28087500  0.54001900  0.13183400  1
  O  O26  1  0.02797400  0.62889100  0.66270700  1
  O  O27  1  0.69384500  0.71075000  0.82731700  1
  O  O28  1  0.63165900  0.52556200  0.43097700  1
  O  O29  1  0.92734600  0.64564900  0.35495100  1
  O  O30  1  0.39660900  0.65257600  0.93562200  1
  O  O31  1  0.63499400  0.37475100  0.08338500  1
  O  O32  1  0.38059300  0.47428500  0.58731600  1
  O  O33  1  0.30461600  0.30457100  0.17730100  1
  O  O34  1  0.97645200  0.37908200  0.34313500  1
  O  O35  1  0.69039000  0.45767000  0.85022900  1
  O  O36  1  0.22055200  0.21919500  0.84560800  1
  O  O37  1  0.13177000  0.01370700  0.41849000  1
  O  O38  1  0.45966000  0.16274000  0.38544800  1
  O  O39  1  0.02127300  0.35107500  0.62665800  1
  O  O40  1  0.75271900  0.00269500  0.10602000  1
  O  O41  1  0.55723500  0.13850000  0.67934300  1
  O  O42  1  0.86496900  0.13535200  0.91588800  1
