# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25944500
_cell_length_b   9.17179318
_cell_length_c   10.08322599
_cell_angle_alpha   89.13145600
_cell_angle_beta   89.85873821
_cell_angle_gamma   89.34234986
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   486.31091881
_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  0.18161300  0.16922200  0.15782200  1
  Li  Li1  1  0.33216400  0.32576800  0.88794500  1
  Li  Li2  1  0.66124200  0.67098000  0.64802400  1
  Fe  Fe3  1  0.16448700  0.84023300  0.63184700  1
  Fe  Fe4  1  0.18383500  0.50419400  0.13384600  1
  Fe  Fe5  1  0.30880100  0.99528200  0.87728000  1
  Fe  Fe6  1  0.33311200  0.66730400  0.37487300  1
  Fe  Fe7  1  0.66550000  0.33502800  0.62567500  1
  Fe  Fe8  1  0.67284600  0.99759100  0.12273400  1
  Fe  Fe9  1  0.82614400  0.15839900  0.38558500  1
  Fe  Fe10  1  0.83283000  0.49761600  0.88085900  1
  B  B11  1  0.16656700  0.50763500  0.63533000  1
  B  B12  1  0.16761400  0.83830100  0.13307500  1
  B  B13  1  0.33640100  0.99674600  0.37364600  1
  B  B14  1  0.32646700  0.65789800  0.86729500  1
  B  B15  1  0.66116700  0.99266100  0.62651800  1
  B  B16  1  0.67014900  0.32488300  0.12111500  1
  B  B17  1  0.83820700  0.49823300  0.38130200  1
  B  B18  1  0.82768400  0.17458000  0.88684400  1
  O  O19  1  0.09118500  0.51282400  0.34244600  1
  O  O20  1  0.08610700  0.17158300  0.89076400  1
  O  O21  1  0.20054100  0.78484100  0.82830800  1
  O  O22  1  0.25343700  0.86781600  0.43252500  1
  O  O23  1  0.17432700  0.11182000  0.35249000  1
  O  O24  1  0.19027800  0.53946400  0.91929600  1
  O  O25  1  0.30848900  0.38652600  0.65001200  1
  O  O26  1  0.30990600  0.96049500  0.09253300  1
  O  O27  1  0.27431600  0.63983800  0.58403800  1
  O  O28  1  0.29571700  0.71443400  0.17911700  1
  O  O29  1  0.40999300  0.32517200  0.11172800  1
  O  O30  1  0.40827000  0.99250900  0.66799400  1
  O  O31  1  0.58793500  0.00565400  0.32902400  1
  O  O32  1  0.58303100  0.64375200  0.85002600  1
  O  O33  1  0.69822800  0.30209400  0.84196600  1
  O  O34  1  0.75154100  0.35993800  0.41758400  1
  O  O35  1  0.67878700  0.61590300  0.39012100  1
  O  O36  1  0.67767600  0.05945100  0.93015900  1
  O  O37  1  0.81485900  0.44162600  0.07669500  1
  O  O38  1  0.80372500  0.86627400  0.63279400  1
  O  O39  1  0.76643200  0.12107200  0.57764300  1
  O  O40  1  0.80303400  0.19925800  0.17062600  1
  O  O41  1  0.91020100  0.84572300  0.12568000  1
  O  O42  1  0.91088800  0.51386200  0.67622200  1
