# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26025000
_cell_length_b   9.11364687
_cell_length_c   11.39254813
_cell_angle_alpha   113.54253588
_cell_angle_beta   102.95758771
_cell_angle_gamma   89.25429395
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   486.15517497
_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  0.02725400  0.03318100  0.40897700  1
  Li  Li1  1  0.49593500  0.50907300  0.66572300  1
  Li  Li2  1  0.25902900  0.24660100  0.15411200  1
  Fe  Fe3  1  0.00745300  0.35496700  0.37520200  1
  Fe  Fe4  1  0.27051700  0.93985500  0.88301400  1
  Fe  Fe5  1  0.48258500  0.15073100  0.63376600  1
  Fe  Fe6  1  0.24597000  0.56902500  0.12644100  1
  Fe  Fe7  1  0.77107200  0.43644800  0.88631900  1
  Fe  Fe8  1  0.51773900  0.84314000  0.37243200  1
  Fe  Fe9  1  0.97654300  0.65981600  0.62793300  1
  Fe  Fe10  1  0.74387000  0.04959200  0.12258200  1
  B  B11  1  0.02841500  0.69430000  0.38034900  1
  B  B12  1  0.25595600  0.60157700  0.87030300  1
  B  B13  1  0.47222000  0.80878300  0.62361900  1
  B  B14  1  0.24249000  0.90037400  0.13542500  1
  B  B15  1  0.51389700  0.17995700  0.37642700  1
  B  B16  1  0.77138500  0.10605400  0.87912200  1
  B  B17  1  0.97630600  0.31870500  0.62331900  1
  B  B18  1  0.73036800  0.39155800  0.12801300  1
  O  O19  1  0.03257100  0.09348600  0.88645200  1
  O  O20  1  0.12540000  0.71500600  0.82870200  1
  O  O21  1  0.12816000  0.52251800  0.92322800  1
  O  O22  1  0.10509700  0.18675300  0.60746900  1
  O  O23  1  0.07378300  0.43570600  0.58327400  1
  O  O24  1  0.24482200  0.83189500  0.67276900  1
  O  O25  1  0.25372500  0.67225500  0.33505600  1
  O  O26  1  0.50173500  0.56819000  0.85190800  1
  O  O27  1  0.64306900  0.21604200  0.83598800  1
  O  O28  1  0.43003300  0.06820300  0.41682300  1
  O  O29  1  0.34966900  0.29089500  0.35685900  1
  O  O30  1  0.63293100  0.01197600  0.91824800  1
  O  O31  1  0.34397700  0.99851400  0.08254800  1
  O  O32  1  0.61699000  0.68266900  0.62911900  1
  O  O33  1  0.54292300  0.90894300  0.57159300  1
  O  O34  1  0.41155800  0.80315700  0.17955400  1
  O  O35  1  0.47549100  0.39511700  0.13163200  1
  O  O36  1  0.75072600  0.35054200  0.67045900  1
  O  O37  1  0.76523700  0.17649900  0.35330400  1
  O  O38  1  0.95344400  0.58418600  0.42824800  1
  O  O39  1  0.88309200  0.81955500  0.38337700  1
  O  O40  1  0.85021700  0.47779100  0.07603500  1
  O  O41  1  0.89251100  0.29379000  0.18001400  1
  O  O42  1  0.99339400  0.90338700  0.14566100  1
