# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28912900
_cell_length_b   9.05424339
_cell_length_c   11.45152716
_cell_angle_alpha   112.96378530
_cell_angle_beta   102.93079009
_cell_angle_gamma   89.81462554
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   489.97374346
_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  0.39481200  0.05265100  0.11102700  1
  Li  Li1  1  0.31944500  0.67313400  0.33890000  1
  Li  Li2  1  0.58012200  0.92043800  0.84940500  1
  Fe  Fe3  1  0.59623100  0.59545700  0.86934800  1
  Fe  Fe4  1  0.90146900  0.89494700  0.11890300  1
  Fe  Fe5  1  0.14987200  0.47789700  0.62244600  1
  Fe  Fe6  1  0.34086500  0.02149600  0.36846700  1
  Fe  Fe7  1  0.66153100  0.98199300  0.62117400  1
  Fe  Fe8  1  0.84842800  0.52333100  0.37522200  1
  Fe  Fe9  1  0.08930200  0.10125500  0.87076600  1
  Fe  Fe10  1  0.41021900  0.39204600  0.12268300  1
  B  B11  1  0.34199200  0.35366900  0.36697300  1
  B  B12  1  0.10823700  0.76731700  0.87204700  1
  B  B13  1  0.86362400  0.85605500  0.37346300  1
  B  B14  1  0.59103100  0.26655600  0.87046600  1
  B  B15  1  0.14986100  0.14063400  0.61847700  1
  B  B16  1  0.41219400  0.73055100  0.12530700  1
  B  B17  1  0.65397900  0.64754500  0.63217100  1
  B  B18  1  0.88750500  0.22510500  0.11825100  1
  O  O19  1  0.86486300  0.77169000  0.90213500  1
  O  O20  1  0.52956500  0.54797400  0.67365200  1
  O  O21  1  0.75081000  0.08509300  0.09669100  1
  O  O22  1  0.42451600  0.20221900  0.33754500  1
  O  O23  1  0.15291900  0.40547500  0.43529300  1
  O  O24  1  0.21107000  0.61954700  0.82454600  1
  O  O25  1  0.69650300  0.39457000  0.85940700  1
  O  O26  1  0.96408300  0.96217400  0.32985000  1
  O  O27  1  0.30502600  0.87942400  0.17006300  1
  O  O28  1  0.36370300  0.08730800  0.56257400  1
  O  O29  1  0.06349400  0.28396800  0.63098900  1
  O  O30  1  0.60284000  0.71698200  0.05774100  1
  O  O31  1  0.39005200  0.27757700  0.93271900  1
  O  O32  1  0.62612900  0.88794800  0.41542600  1
  O  O33  1  0.68423800  0.11350900  0.81802100  1
  O  O34  1  0.03190500  0.03895800  0.66058100  1
  O  O35  1  0.33215800  0.60880400  0.15455300  1
  O  O36  1  0.78496900  0.37188100  0.16728700  1
  O  O37  1  0.86216300  0.59544700  0.57843700  1
  O  O38  1  0.56969800  0.79654100  0.64762200  1
  O  O39  1  0.98635500  0.72624600  0.37569900  1
  O  O40  1  0.24433600  0.90831800  0.89389400  1
  O  O41  1  0.44297500  0.45940100  0.32244900  1
  O  O42  1  0.12961700  0.22054200  0.08592600  1
