# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22594900
_cell_length_b   9.07446015
_cell_length_c   11.38878375
_cell_angle_alpha   112.76256463
_cell_angle_beta   103.20741703
_cell_angle_gamma   90.62573220
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   481.87290065
_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  0.38487100  0.72661100  0.09707900  1
  Li  Li1  1  0.82682300  0.49264000  0.33985300  1
  Li  Li2  1  0.60935100  0.24836000  0.83639700  1
  Fe  Fe3  1  0.64295700  0.64437800  0.62118100  1
  Fe  Fe4  1  0.38403100  0.07422000  0.12358300  1
  Fe  Fe5  1  0.85798000  0.85041400  0.37014500  1
  Fe  Fe6  1  0.12212800  0.44798400  0.86532900  1
  Fe  Fe7  1  0.88463700  0.55049300  0.11325400  1
  Fe  Fe8  1  0.13530700  0.14953200  0.61867600  1
  Fe  Fe9  1  0.33536500  0.34018000  0.37256600  1
  Fe  Fe10  1  0.60752700  0.92565000  0.87250400  1
  B  B11  1  0.64859100  0.31686900  0.62715700  1
  B  B12  1  0.38840100  0.40035200  0.12673400  1
  B  B13  1  0.83528800  0.18664200  0.37052200  1
  B  B14  1  0.10832300  0.10328500  0.87004200  1
  B  B15  1  0.14680600  0.81165100  0.62164400  1
  B  B16  1  0.88980800  0.89351300  0.12177000  1
  B  B17  1  0.35791300  0.68472400  0.37381200  1
  B  B18  1  0.60743300  0.60582600  0.87424500  1
  O  O19  1  0.14985700  0.90565000  0.12209600  1
  O  O20  1  0.26239000  0.28501600  0.15536100  1
  O  O21  1  0.24247400  0.50288400  0.07989400  1
  O  O22  1  0.49798000  0.79884900  0.35638400  1
  O  O23  1  0.49190600  0.57738000  0.42061400  1
  O  O24  1  0.56370300  0.15102100  0.31412700  1
  O  O25  1  0.92279000  0.32478900  0.65878500  1
  O  O26  1  0.65660600  0.41223700  0.14895600  1
  O  O27  1  0.78825600  0.79181100  0.17078100  1
  O  O28  1  0.03585100  0.92155300  0.57067300  1
  O  O29  1  0.99298100  0.69187000  0.62177700  1
  O  O30  1  0.70820500  0.97815400  0.06866900  1
  O  O31  1  0.28544300  0.01612400  0.92217100  1
  O  O32  1  0.96795400  0.31940500  0.37861800  1
  O  O33  1  0.96695800  0.07925000  0.42029700  1
  O  O34  1  0.21466600  0.20511100  0.82318100  1
  O  O35  1  0.36798300  0.63300600  0.90089000  1
  O  O36  1  0.07987400  0.66889600  0.34337000  1
  O  O37  1  0.42365500  0.82906400  0.67172700  1
  O  O38  1  0.52813900  0.42369100  0.57911700  1
  O  O39  1  0.50078800  0.20509200  0.64509800  1
  O  O40  1  0.74903500  0.48715000  0.89959000  1
  O  O41  1  0.72085400  0.70690300  0.82575900  1
  O  O42  1  0.84314800  0.08658400  0.86416600  1
