# generated using pymatgen
data_LiB3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66886900
_cell_length_b   8.38602600
_cell_length_c   17.44029700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiB3O5
_chemical_formula_sum   'Li16 B48 O80'
_cell_volume   1121.60877981
_cell_formula_units_Z   16
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  0.25000000  0.70007100  0.84161100  1
  Li  Li1  1  0.25000000  0.20007100  0.65838900  1
  Li  Li2  1  0.75000000  0.29992900  0.15838900  1
  Li  Li3  1  0.75000000  0.79992900  0.34161100  1
  Li  Li4  1  0.25000000  0.77308300  0.12467100  1
  Li  Li5  1  0.25000000  0.27308300  0.37532900  1
  Li  Li6  1  0.75000000  0.22691700  0.87532900  1
  Li  Li7  1  0.75000000  0.72691700  0.62467100  1
  Li  Li8  1  0.25000000  0.96464200  0.46568100  1
  Li  Li9  1  0.25000000  0.46464200  0.03431900  1
  Li  Li10  1  0.75000000  0.03535800  0.53431900  1
  Li  Li11  1  0.75000000  0.53535800  0.96568100  1
  Li  Li12  1  0.25000000  0.10437700  0.95662900  1
  Li  Li13  1  0.25000000  0.60437700  0.54337100  1
  Li  Li14  1  0.75000000  0.89562300  0.04337100  1
  Li  Li15  1  0.75000000  0.39562300  0.45662900  1
  B  B16  1  0.07543300  0.57085500  0.39036400  1
  B  B17  1  0.42456700  0.07085500  0.10963600  1
  B  B18  1  0.57543300  0.42914500  0.60963600  1
  B  B19  1  0.92456700  0.92914500  0.89036400  1
  B  B20  1  0.92456700  0.42914500  0.60963600  1
  B  B21  1  0.57543300  0.92914500  0.89036400  1
  B  B22  1  0.42456700  0.57085500  0.39036400  1
  B  B23  1  0.07543300  0.07085500  0.10963600  1
  B  B24  1  0.57793600  0.60461400  0.10744500  1
  B  B25  1  0.92206400  0.10461400  0.39255500  1
  B  B26  1  0.07793600  0.39538600  0.89255500  1
  B  B27  1  0.42206400  0.89538600  0.60744500  1
  B  B28  1  0.42206400  0.39538600  0.89255500  1
  B  B29  1  0.07793600  0.89538600  0.60744500  1
  B  B30  1  0.92206400  0.60461400  0.10744500  1
  B  B31  1  0.57793600  0.10461400  0.39255500  1
  B  B32  1  0.07931100  0.62115000  0.24392400  1
  B  B33  1  0.42068900  0.12115000  0.25607600  1
  B  B34  1  0.57931100  0.37885000  0.75607600  1
  B  B35  1  0.92068900  0.87885000  0.74392400  1
  B  B36  1  0.92068900  0.37885000  0.75607600  1
  B  B37  1  0.57931100  0.87885000  0.74392400  1
  B  B38  1  0.42068900  0.62115000  0.24392400  1
  B  B39  1  0.07931100  0.12115000  0.25607600  1
  B  B40  1  0.08179800  0.76158700  0.99217500  1
  B  B41  1  0.41820200  0.26158700  0.50782500  1
  B  B42  1  0.58179800  0.23841300  0.00782500  1
  B  B43  1  0.91820200  0.73841300  0.49217500  1
  B  B44  1  0.91820200  0.23841300  0.00782500  1
  B  B45  1  0.58179800  0.73841300  0.49217500  1
  B  B46  1  0.41820200  0.76158700  0.99217500  1
  B  B47  1  0.08179800  0.26158700  0.50782500  1
  B  B48  1  0.07864200  0.86841900  0.33091700  1
  B  B49  1  0.42135800  0.36841900  0.16908300  1
  B  B50  1  0.57864200  0.13158100  0.66908300  1
  B  B51  1  0.92135800  0.63158100  0.83091700  1
  B  B52  1  0.92135800  0.13158100  0.66908300  1
  B  B53  1  0.57864200  0.63158100  0.83091700  1
  B  B54  1  0.42135800  0.86841900  0.33091700  1
  B  B55  1  0.07864200  0.36841900  0.16908300  1
  B  B56  1  0.58334100  0.87602800  0.19361800  1
  B  B57  1  0.91665900  0.37602800  0.30638200  1
  B  B58  1  0.08334100  0.12397200  0.80638200  1
  B  B59  1  0.41665900  0.62397200  0.69361800  1
  B  B60  1  0.41665900  0.12397200  0.80638200  1
  B  B61  1  0.08334100  0.62397200  0.69361800  1
  B  B62  1  0.91665900  0.87602800  0.19361800  1
  B  B63  1  0.58334100  0.37602800  0.30638200  1
  O  O64  1  0.05502800  0.56455100  0.88029600  1
  O  O65  1  0.44497200  0.06455100  0.61970400  1
  O  O66  1  0.55502800  0.43544900  0.11970400  1
  O  O67  1  0.94497200  0.93544900  0.38029600  1
  O  O68  1  0.94497200  0.43544900  0.11970400  1
  O  O69  1  0.55502800  0.93544900  0.38029600  1
  O  O70  1  0.44497200  0.56455100  0.88029600  1
  O  O71  1  0.05502800  0.06455100  0.61970400  1
  O  O72  1  0.06648000  0.65765700  0.05303700  1
  O  O73  1  0.43352000  0.15765700  0.44696300  1
  O  O74  1  0.56648000  0.34234300  0.94696300  1
  O  O75  1  0.93352000  0.84234300  0.55303700  1
  O  O76  1  0.93352000  0.34234300  0.94696300  1
  O  O77  1  0.56648000  0.84234300  0.55303700  1
  O  O78  1  0.43352000  0.65765700  0.05303700  1
  O  O79  1  0.06648000  0.15765700  0.44696300  1
  O  O80  1  0.05809000  0.66078800  0.46151700  1
  O  O81  1  0.44191000  0.16078800  0.03848300  1
  O  O82  1  0.55809000  0.33921200  0.53848300  1
  O  O83  1  0.94191000  0.83921200  0.96151700  1
  O  O84  1  0.94191000  0.33921200  0.53848300  1
  O  O85  1  0.55809000  0.83921200  0.96151700  1
  O  O86  1  0.44191000  0.66078800  0.46151700  1
  O  O87  1  0.05809000  0.16078800  0.03848300  1
  O  O88  1  0.03453400  0.69262200  0.32040200  1
  O  O89  1  0.46546600  0.19262200  0.17959800  1
  O  O90  1  0.53453400  0.30737800  0.67959800  1
  O  O91  1  0.96546600  0.80737800  0.82040200  1
  O  O92  1  0.96546600  0.30737800  0.67959800  1
  O  O93  1  0.53453400  0.80737800  0.82040200  1
  O  O94  1  0.46546600  0.69262200  0.32040200  1
  O  O95  1  0.03453400  0.19262200  0.17959800  1
  O  O96  1  0.54250900  0.69299000  0.18505500  1
  O  O97  1  0.95749100  0.19299000  0.31494500  1
  O  O98  1  0.04250900  0.30701000  0.81494500  1
  O  O99  1  0.45749100  0.80701000  0.68505500  1
  O  O100  1  0.45749100  0.30701000  0.81494500  1
  O  O101  1  0.04250900  0.80701000  0.68505500  1
  O  O102  1  0.95749100  0.69299000  0.18505500  1
  O  O103  1  0.54250900  0.19299000  0.31494500  1
  O  O104  1  0.05273100  0.94359500  0.25115800  1
  O  O105  1  0.44726900  0.44359500  0.24884200  1
  O  O106  1  0.55273100  0.05640500  0.74884200  1
  O  O107  1  0.94726900  0.55640500  0.75115800  1
  O  O108  1  0.94726900  0.05640500  0.74884200  1
  O  O109  1  0.55273100  0.55640500  0.75115800  1
  O  O110  1  0.44726900  0.94359500  0.25115800  1
  O  O111  1  0.05273100  0.44359500  0.24884200  1
  O  O112  1  0.55581600  0.94939000  0.12061100  1
  O  O113  1  0.94418400  0.44939000  0.37938900  1
  O  O114  1  0.05581600  0.05061000  0.87938900  1
  O  O115  1  0.44418400  0.55061000  0.62061100  1
  O  O116  1  0.44418400  0.05061000  0.87938900  1
  O  O117  1  0.05581600  0.55061000  0.62061100  1
  O  O118  1  0.94418400  0.94939000  0.12061100  1
  O  O119  1  0.55581600  0.44939000  0.37938900  1
  O  O120  1  0.25000000  0.50618300  0.38389500  1
  O  O121  1  0.25000000  0.00618300  0.11610500  1
  O  O122  1  0.75000000  0.49381700  0.61610500  1
  O  O123  1  0.75000000  0.99381700  0.88389500  1
  O  O124  1  0.25000000  0.60806500  0.72869800  1
  O  O125  1  0.25000000  0.10806500  0.77130200  1
  O  O126  1  0.75000000  0.39193500  0.27130200  1
  O  O127  1  0.75000000  0.89193500  0.22869800  1
  O  O128  1  0.25000000  0.66097200  0.21949900  1
  O  O129  1  0.25000000  0.16097200  0.28050100  1
  O  O130  1  0.75000000  0.33902800  0.78050100  1
  O  O131  1  0.75000000  0.83902800  0.71949900  1
  O  O132  1  0.25000000  0.79974600  0.96528400  1
  O  O133  1  0.25000000  0.29974600  0.53471600  1
  O  O134  1  0.75000000  0.20025400  0.03471600  1
  O  O135  1  0.75000000  0.70025400  0.46528400  1
  O  O136  1  0.25000000  0.85528500  0.57649700  1
  O  O137  1  0.25000000  0.35528500  0.92350300  1
  O  O138  1  0.75000000  0.14471500  0.42350300  1
  O  O139  1  0.75000000  0.64471500  0.07649700  1
  O  O140  1  0.25000000  0.89129400  0.36067000  1
  O  O141  1  0.25000000  0.39129400  0.13933000  1
  O  O142  1  0.75000000  0.10870600  0.63933000  1
  O  O143  1  0.75000000  0.60870600  0.86067000  1
