# generated using pymatgen
data_LiB3H3SeO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.96324800
_cell_length_b   11.48451200
_cell_length_c   14.65539200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiB3H3SeO9
_chemical_formula_sum   'Li8 B24 H24 Se8 O72'
_cell_volume   1508.60449755
_cell_formula_units_Z   8
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  0.17462000  0.00000000  0.25000000  1
  Li  Li1  1  0.50004700  0.00000000  0.25000000  1
  Li  Li2  1  0.49995300  0.00000000  0.75000000  1
  Li  Li3  1  0.82538000  0.00000000  0.75000000  1
  Li  Li4  1  0.67462000  0.50000000  0.25000000  1
  Li  Li5  1  0.99995300  0.50000000  0.75000000  1
  Li  Li6  1  0.32538000  0.50000000  0.75000000  1
  Li  Li7  1  0.00004700  0.50000000  0.25000000  1
  B  B8  1  0.04391300  0.14672800  0.08325200  1
  B  B9  1  0.95608700  0.14672800  0.58325200  1
  B  B10  1  0.53470400  0.14342300  0.07480500  1
  B  B11  1  0.46529600  0.14342300  0.57480500  1
  B  B12  1  0.08249900  0.23939800  0.45096900  1
  B  B13  1  0.91750100  0.23939800  0.95096900  1
  B  B14  1  0.41750100  0.26060200  0.95096900  1
  B  B15  1  0.58249900  0.26060200  0.45096900  1
  B  B16  1  0.03470400  0.35657700  0.07480500  1
  B  B17  1  0.96529600  0.35657700  0.57480500  1
  B  B18  1  0.54391300  0.35327200  0.08325200  1
  B  B19  1  0.45608700  0.35327200  0.58325200  1
  B  B20  1  0.45608700  0.64672800  0.91674800  1
  B  B21  1  0.54391300  0.64672800  0.41674800  1
  B  B22  1  0.03470400  0.64342300  0.42519500  1
  B  B23  1  0.96529600  0.64342300  0.92519500  1
  B  B24  1  0.41750100  0.73939800  0.54903100  1
  B  B25  1  0.58249900  0.73939800  0.04903100  1
  B  B26  1  0.08249900  0.76060200  0.04903100  1
  B  B27  1  0.91750100  0.76060200  0.54903100  1
  B  B28  1  0.46529600  0.85657700  0.92519500  1
  B  B29  1  0.53470400  0.85657700  0.42519500  1
  B  B30  1  0.04391300  0.85327200  0.41674800  1
  B  B31  1  0.95608700  0.85327200  0.91674800  1
  H  H32  1  0.06778000  0.97962100  0.08648300  1
  H  H33  1  0.93222000  0.97962100  0.58648300  1
  H  H34  1  0.55597000  0.02960100  0.42296400  1
  H  H35  1  0.44403000  0.02960100  0.92296400  1
  H  H36  1  0.26151500  0.18861900  0.68562500  1
  H  H37  1  0.73848500  0.18861900  0.18562500  1
  H  H38  1  0.23848500  0.31138100  0.18562500  1
  H  H39  1  0.76151500  0.31138100  0.68562500  1
  H  H40  1  0.05597000  0.47039900  0.42296400  1
  H  H41  1  0.94403000  0.47039900  0.92296400  1
  H  H42  1  0.56778000  0.52037900  0.08648300  1
  H  H43  1  0.43222000  0.52037900  0.58648300  1
  H  H44  1  0.43222000  0.47962100  0.91351700  1
  H  H45  1  0.56778000  0.47962100  0.41351700  1
  H  H46  1  0.05597000  0.52960100  0.07703600  1
  H  H47  1  0.94403000  0.52960100  0.57703600  1
  H  H48  1  0.76151500  0.68861900  0.81437500  1
  H  H49  1  0.23848500  0.68861900  0.31437500  1
  H  H50  1  0.26151500  0.81138100  0.81437500  1
  H  H51  1  0.73848500  0.81138100  0.31437500  1
  H  H52  1  0.44403000  0.97039900  0.57703600  1
  H  H53  1  0.55597000  0.97039900  0.07703600  1
  H  H54  1  0.06778000  0.02037900  0.41351700  1
  H  H55  1  0.93222000  0.02037900  0.91351700  1
  Se  Se56  1  0.33015700  0.24542300  0.32539400  1
  Se  Se57  1  0.66984300  0.24542300  0.82539400  1
  Se  Se58  1  0.16984300  0.25457700  0.82539400  1
  Se  Se59  1  0.83015700  0.25457700  0.32539400  1
  Se  Se60  1  0.16984300  0.74542300  0.67460600  1
  Se  Se61  1  0.83015700  0.74542300  0.17460600  1
  Se  Se62  1  0.33015700  0.75457700  0.17460600  1
  Se  Se63  1  0.66984300  0.75457700  0.67460600  1
  O  O64  1  0.56833900  0.04001100  0.11745600  1
  O  O65  1  0.43166100  0.04001100  0.61745600  1
  O  O66  1  0.09139500  0.04691300  0.12617400  1
  O  O67  1  0.90860500  0.04691300  0.62617400  1
  O  O68  1  0.33436800  0.11046800  0.28360100  1
  O  O69  1  0.66563200  0.11046800  0.78360100  1
  O  O70  1  0.96772500  0.13874000  0.00268400  1
  O  O71  1  0.03227500  0.13874000  0.50268400  1
  O  O72  1  0.54112100  0.14851400  0.49349500  1
  O  O73  1  0.45887900  0.14851400  0.99349500  1
  O  O74  1  0.82750100  0.15802200  0.21895100  1
  O  O75  1  0.17249900  0.15802200  0.71895100  1
  O  O76  1  0.02037000  0.23174400  0.35362700  1
  O  O77  1  0.97963000  0.23174400  0.85362700  1
  O  O78  1  0.24622600  0.22946100  0.44323100  1
  O  O79  1  0.75377400  0.22946100  0.94323100  1
  O  O80  1  0.42080500  0.24429100  0.62036400  1
  O  O81  1  0.57919500  0.24429100  0.12036400  1
  O  O82  1  0.07919500  0.25570900  0.12036400  1
  O  O83  1  0.92080500  0.25570900  0.62036400  1
  O  O84  1  0.74622600  0.27053900  0.44323100  1
  O  O85  1  0.25377400  0.27053900  0.94323100  1
  O  O86  1  0.47963000  0.26825600  0.85362700  1
  O  O87  1  0.52037000  0.26825600  0.35362700  1
  O  O88  1  0.32750100  0.34197800  0.21895100  1
  O  O89  1  0.67249900  0.34197800  0.71895100  1
  O  O90  1  0.04112100  0.35148600  0.49349500  1
  O  O91  1  0.95887900  0.35148600  0.99349500  1
  O  O92  1  0.53227500  0.36126000  0.50268400  1
  O  O93  1  0.46772500  0.36126000  0.00268400  1
  O  O94  1  0.83436800  0.38953200  0.28360100  1
  O  O95  1  0.16563200  0.38953200  0.78360100  1
  O  O96  1  0.59139500  0.45308700  0.12617400  1
  O  O97  1  0.40860500  0.45308700  0.62617400  1
  O  O98  1  0.06833900  0.45998900  0.11745600  1
  O  O99  1  0.93166100  0.45998900  0.61745600  1
  O  O100  1  0.06833900  0.54001100  0.38254400  1
  O  O101  1  0.93166100  0.54001100  0.88254400  1
  O  O102  1  0.59139500  0.54691300  0.37382600  1
  O  O103  1  0.40860500  0.54691300  0.87382600  1
  O  O104  1  0.83436800  0.61046800  0.21639900  1
  O  O105  1  0.16563200  0.61046800  0.71639900  1
  O  O106  1  0.46772500  0.63874000  0.49731600  1
  O  O107  1  0.53227500  0.63874000  0.99731600  1
  O  O108  1  0.04112100  0.64851400  0.00650500  1
  O  O109  1  0.95887900  0.64851400  0.50650500  1
  O  O110  1  0.32750100  0.65802200  0.28104900  1
  O  O111  1  0.67249900  0.65802200  0.78104900  1
  O  O112  1  0.47963000  0.73174400  0.64637300  1
  O  O113  1  0.52037000  0.73174400  0.14637300  1
  O  O114  1  0.25377400  0.72946100  0.55676900  1
  O  O115  1  0.74622600  0.72946100  0.05676900  1
  O  O116  1  0.92080500  0.74429100  0.87963600  1
  O  O117  1  0.07919500  0.74429100  0.37963600  1
  O  O118  1  0.42080500  0.75570900  0.87963600  1
  O  O119  1  0.57919500  0.75570900  0.37963600  1
  O  O120  1  0.24622600  0.77053900  0.05676900  1
  O  O121  1  0.75377400  0.77053900  0.55676900  1
  O  O122  1  0.02037000  0.76825600  0.14637300  1
  O  O123  1  0.97963000  0.76825600  0.64637300  1
  O  O124  1  0.17249900  0.84197800  0.78104900  1
  O  O125  1  0.82750100  0.84197800  0.28104900  1
  O  O126  1  0.45887900  0.85148600  0.50650500  1
  O  O127  1  0.54112100  0.85148600  0.00650500  1
  O  O128  1  0.03227500  0.86126000  0.99731600  1
  O  O129  1  0.96772500  0.86126000  0.49731600  1
  O  O130  1  0.33436800  0.88953200  0.21639900  1
  O  O131  1  0.66563200  0.88953200  0.71639900  1
  O  O132  1  0.09139500  0.95308700  0.37382600  1
  O  O133  1  0.90860500  0.95308700  0.87382600  1
  O  O134  1  0.43166100  0.95998900  0.88254400  1
  O  O135  1  0.56833900  0.95998900  0.38254400  1
