# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22810500
_cell_length_b   9.15960295
_cell_length_c   11.38694184
_cell_angle_alpha   112.76625800
_cell_angle_beta   102.92267721
_cell_angle_gamma   90.62097270
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   487.18779059
_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  0.63663100  0.97236100  0.60769600  1
  Li  Li1  1  0.10056900  0.73714400  0.83501200  1
  Li  Li2  1  0.32625300  0.00139200  0.35042300  1
  Fe  Fe3  1  0.63853500  0.64573100  0.61702200  1
  Fe  Fe4  1  0.39655100  0.07223600  0.12458200  1
  Fe  Fe5  1  0.83789200  0.83839600  0.37077300  1
  Fe  Fe6  1  0.10628100  0.42342700  0.86940500  1
  Fe  Fe7  1  0.88909600  0.56570400  0.12216500  1
  Fe  Fe8  1  0.15257200  0.15557800  0.61837300  1
  Fe  Fe9  1  0.35326600  0.35651200  0.37454200  1
  Fe  Fe10  1  0.60296200  0.93514600  0.86911200  1
  B  B11  1  0.65214200  0.30520400  0.61662300  1
  B  B12  1  0.39056800  0.39410800  0.11984900  1
  B  B13  1  0.85724400  0.18019200  0.36588200  1
  B  B14  1  0.10470300  0.09921000  0.86927500  1
  B  B15  1  0.14283900  0.82705700  0.63376100  1
  B  B16  1  0.88581200  0.89754100  0.12314100  1
  B  B17  1  0.33696800  0.68882900  0.37280000  1
  B  B18  1  0.60891000  0.60791600  0.87725100  1
  O  O19  1  0.15282000  0.93448700  0.14543500  1
  O  O20  1  0.30350000  0.28782600  0.16888600  1
  O  O21  1  0.20085700  0.47245700  0.06656200  1
  O  O22  1  0.47418100  0.83023600  0.39656200  1
  O  O23  1  0.46253000  0.57739400  0.41399900  1
  O  O24  1  0.57286400  0.16145300  0.32548900  1
  O  O25  1  0.92143600  0.34191200  0.67998700  1
  O  O26  1  0.64600700  0.41659400  0.12364900  1
  O  O27  1  0.78699300  0.78226400  0.15500600  1
  O  O28  1  0.00768400  0.92499400  0.58090200  1
  O  O29  1  0.02037700  0.71252200  0.65609400  1
  O  O30  1  0.70760000  0.98279300  0.06862100  1
  O  O31  1  0.26917900  0.00229700  0.91983000  1
  O  O32  1  0.99756300  0.30238600  0.36152300  1
  O  O33  1  0.97948600  0.06902400  0.40635300  1
  O  O34  1  0.21723100  0.21088600  0.83783500  1
  O  O35  1  0.34568200  0.58862700  0.86999000  1
  O  O36  1  0.06985400  0.65764900  0.31302500  1
  O  O37  1  0.42494800  0.85072100  0.67257400  1
  O  O38  1  0.52690400  0.40830300  0.56445800  1
  O  O39  1  0.51945200  0.16782500  0.60171600  1
  O  O40  1  0.78854800  0.51860000  0.92184100  1
  O  O41  1  0.71222800  0.72046800  0.83894400  1
  O  O42  1  0.84043800  0.07378400  0.85162800  1
