# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25584200
_cell_length_b   5.27095882
_cell_length_c   20.07931436
_cell_angle_alpha   90.31009899
_cell_angle_beta   90.40631797
_cell_angle_gamma   119.25181349
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   485.29201845
_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  0.64180900  0.66712600  0.08112800  1
  Li  Li1  1  0.66621700  0.64222500  0.82918300  1
  Li  Li2  1  0.34404200  0.34450600  0.45076600  1
  Fe  Fe3  1  0.01834300  0.67708300  0.18953700  1
  Fe  Fe4  1  0.99898300  0.67339500  0.69018500  1
  Fe  Fe5  1  0.31569700  0.00848400  0.06290900  1
  Fe  Fe6  1  0.32484500  0.99491300  0.56495200  1
  Fe  Fe7  1  0.68111400  0.99368000  0.43925000  1
  Fe  Fe8  1  0.67626300  0.01540700  0.93935300  1
  Fe  Fe9  1  0.99521400  0.33335900  0.31651700  1
  Fe  Fe10  1  0.00858400  0.31437100  0.81266900  1
  B  B11  1  0.99624600  0.33698500  0.06416600  1
  B  B12  1  0.99770300  0.33709100  0.56335300  1
  B  B13  1  0.67344400  0.01203400  0.18823900  1
  B  B14  1  0.66076000  0.00311700  0.68796400  1
  B  B15  1  0.33791300  0.00171200  0.31487300  1
  B  B16  1  0.33872800  0.99487800  0.81407600  1
  B  B17  1  0.00129500  0.66470900  0.44025000  1
  B  B18  1  0.00973600  0.67131300  0.93675600  1
  O  O19  1  0.88781300  0.27563200  0.21514300  1
  O  O20  1  0.88284100  0.27181100  0.70973700  1
  O  O21  1  0.74551700  0.08292500  0.04127500  1
  O  O22  1  0.96498900  0.57407600  0.08664900  1
  O  O23  1  0.72577000  0.11461900  0.54369200  1
  O  O24  1  0.02063200  0.59828000  0.58671000  1
  O  O25  1  0.40739900  0.98437500  0.16805500  1
  O  O26  1  0.73745100  0.65116600  0.44010300  1
  O  O27  1  0.39578600  0.98396200  0.66669700  1
  O  O28  1  0.77816700  0.71939700  0.92876100  1
  O  O29  1  0.72651500  0.78611900  0.17788800  1
  O  O30  1  0.69597800  0.76443300  0.69000500  1
  O  O31  1  0.28797900  0.22910000  0.32230900  1
  O  O32  1  0.35125100  0.25781300  0.81515500  1
  O  O33  1  0.26117700  0.35200100  0.06559900  1
  O  O34  1  0.60165000  0.02289200  0.33442500  1
  O  O35  1  0.23823700  0.30364700  0.55522000  1
  O  O36  1  0.57819500  0.96605400  0.83630900  1
  O  O37  1  0.03107500  0.42621700  0.41775900  1
  O  O38  1  0.97808200  0.40256500  0.91874800  1
  O  O39  1  0.25626200  0.91361300  0.46252800  1
  O  O40  1  0.27463400  0.88772300  0.96119300  1
  O  O41  1  0.11959600  0.73394900  0.28894900  1
  O  O42  1  0.08584700  0.74227300  0.79166800  1
