# generated using pymatgen
data_Li2MgB4(H17N3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.84571140
_cell_length_b   10.84571140
_cell_length_c   13.96244949
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgB4(H17N3)2
_chemical_formula_sum   'Li8 Mg4 B16 H136 N24'
_cell_volume   1642.39533475
_cell_formula_units_Z   4
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  0.49336574  0.00031322  0.37181734  1
  Li  Li1  1  0.50663426  0.99968678  0.87181734  1
  Li  Li2  1  0.50031322  0.00663426  0.62181734  1
  Li  Li3  1  0.49968678  0.99336574  0.12181734  1
  Li  Li4  1  0.99968678  0.50663426  0.12818266  1
  Li  Li5  1  0.00031322  0.49336574  0.62818266  1
  Li  Li6  1  0.00663426  0.50031322  0.37818266  1
  Li  Li7  1  0.99336574  0.49968678  0.87818266  1
  Mg  Mg8  1  0.51020684  0.51020684  0.50000000  1
  Mg  Mg9  1  0.48979316  0.48979316  -0.00000000  1
  Mg  Mg10  1  0.01020684  0.98979316  0.75000000  1
  Mg  Mg11  1  0.98979316  0.01020684  0.25000000  1
  B  B12  1  0.43956952  0.83532748  0.25113921  1
  B  B13  1  0.56043048  0.16467252  0.75113921  1
  B  B14  1  0.33532748  0.06043048  0.50113921  1
  B  B15  1  0.66467252  0.93956952  0.00113921  1
  B  B16  1  0.16467252  0.56043048  0.24886079  1
  B  B17  1  0.83532748  0.43956952  0.74886079  1
  B  B18  1  0.06043048  0.33532748  0.49886079  1
  B  B19  1  0.93956952  0.66467252  0.99886079  1
  B  B20  1  0.65569719  0.94167299  0.49891240  1
  B  B21  1  0.34430281  0.05832701  0.99891240  1
  B  B22  1  0.44167299  0.84430281  0.74891240  1
  B  B23  1  0.55832701  0.15569719  0.24891240  1
  B  B24  1  0.05832701  0.34430281  0.00108760  1
  B  B25  1  0.94167299  0.65569719  0.50108760  1
  B  B26  1  0.84430281  0.44167299  0.25108760  1
  B  B27  1  0.15569719  0.55832701  0.75108760  1
  H  H28  1  0.68829882  0.65937380  0.41770908  1
  H  H29  1  0.31170118  0.34062620  0.91770908  1
  H  H30  1  0.15937380  0.81170118  0.66770908  1
  H  H31  1  0.84062620  0.18829882  0.16770908  1
  H  H32  1  0.34062620  0.31170118  0.08229092  1
  H  H33  1  0.65937380  0.68829882  0.58229092  1
  H  H34  1  0.81170118  0.15937380  0.33229092  1
  H  H35  1  0.18829882  0.84062620  0.83229092  1
  H  H36  1  0.66250507  0.54961061  0.34126643  1
  H  H37  1  0.33749493  0.45038939  0.84126643  1
  H  H38  1  0.04961061  0.83749493  0.59126643  1
  H  H39  1  0.95038939  0.16250507  0.09126643  1
  H  H40  1  0.45038939  0.33749493  0.15873357  1
  H  H41  1  0.54961061  0.66250507  0.65873357  1
  H  H42  1  0.83749493  0.04961061  0.40873357  1
  H  H43  1  0.16250507  0.95038939  0.90873357  1
  H  H44  1  0.56830165  0.66800094  0.34714192  1
  H  H45  1  0.43169835  0.33199906  0.84714192  1
  H  H46  1  0.16800094  0.93169835  0.59714192  1
  H  H47  1  0.83199906  0.06830165  0.09714192  1
  H  H48  1  0.33199906  0.43169835  0.15285808  1
  H  H49  1  0.66800094  0.56830165  0.65285808  1
  H  H50  1  0.93169835  0.16800094  0.40285808  1
  H  H51  1  0.06830165  0.83199906  0.90285808  1
  H  H52  1  0.36036220  0.44846280  0.34413626  1
  H  H53  1  0.63963780  0.55153720  0.84413626  1
  H  H54  1  0.94846280  0.13963780  0.59413626  1
  H  H55  1  0.05153720  0.86036220  0.09413626  1
  H  H56  1  0.55153720  0.63963780  0.15586374  1
  H  H57  1  0.44846280  0.36036220  0.65586374  1
  H  H58  1  0.13963780  0.94846280  0.40586374  1
  H  H59  1  0.86036220  0.05153720  0.90586374  1
  H  H60  1  0.36521728  0.32714479  0.41310422  1
  H  H61  1  0.63478272  0.67285521  0.91310422  1
  H  H62  1  0.82714479  0.13478272  0.66310422  1
  H  H63  1  0.17285521  0.86521728  0.16310422  1
  H  H64  1  0.67285521  0.63478272  0.08689578  1
  H  H65  1  0.32714479  0.36521728  0.58689578  1
  H  H66  1  0.13478272  0.82714479  0.33689578  1
  H  H67  1  0.86521728  0.17285521  0.83689578  1
  H  H68  1  0.47903534  0.35454354  0.34126820  1
  H  H69  1  0.52096466  0.64545646  0.84126820  1
  H  H70  1  0.85454354  0.02096466  0.59126820  1
  H  H71  1  0.14545646  0.97903534  0.09126820  1
  H  H72  1  0.64545646  0.52096466  0.15873180  1
  H  H73  1  0.35454354  0.47903534  0.65873180  1
  H  H74  1  0.02096466  0.85454354  0.40873180  1
  H  H75  1  0.97903534  0.14545646  0.90873180  1
  H  H76  1  0.27575028  0.63243620  0.49589175  1
  H  H77  1  0.72424972  0.36756380  0.99589175  1
  H  H78  1  0.13243620  0.22424972  0.74589175  1
  H  H79  1  0.86756380  0.77575028  0.24589175  1
  H  H80  1  0.36756380  0.72424972  0.00410825  1
  H  H81  1  0.63243620  0.27575028  0.50410825  1
  H  H82  1  0.22424972  0.13243620  0.25410825  1
  H  H83  1  0.77575028  0.86756380  0.75410825  1
  H  H84  1  0.37704372  0.73302689  0.53254227  1
  H  H85  1  0.62295628  0.26697311  0.03254227  1
  H  H86  1  0.23302689  0.12295628  0.78254227  1
  H  H87  1  0.76697311  0.87704372  0.28254227  1
  H  H88  1  0.26697311  0.62295628  0.96745773  1
  H  H89  1  0.73302689  0.37704372  0.46745773  1
  H  H90  1  0.12295628  0.23302689  0.21745773  1
  H  H91  1  0.87704372  0.76697311  0.71745773  1
  H  H92  1  0.36604920  0.70066997  0.41903135  1
  H  H93  1  0.63395080  0.29933003  0.91903135  1
  H  H94  1  0.20066997  0.13395080  0.66903135  1
  H  H95  1  0.79933003  0.86604920  0.16903135  1
  H  H96  1  0.29933003  0.63395080  0.08096865  1
  H  H97  1  0.70066997  0.36604920  0.58096865  1
  H  H98  1  0.13395080  0.20066997  0.33096865  1
  H  H99  1  0.86604920  0.79933003  0.83096865  1
  H  H100  1  0.38750600  0.86100867  0.17544898  1
  H  H101  1  0.61249400  0.13899133  0.67544898  1
  H  H102  1  0.36100867  0.11249400  0.42544898  1
  H  H103  1  0.63899133  0.88750600  0.92544898  1
  H  H104  1  0.13899133  0.61249400  0.32455102  1
  H  H105  1  0.86100867  0.38750600  0.82455102  1
  H  H106  1  0.11249400  0.36100867  0.57455102  1
  H  H107  1  0.88750600  0.63899133  0.07455102  1
  H  H108  1  0.37627600  0.87302166  0.31831744  1
  H  H109  1  0.62372400  0.12697834  0.81831744  1
  H  H110  1  0.37302166  0.12372400  0.56831744  1
  H  H111  1  0.62697834  0.87627600  0.06831744  1
  H  H112  1  0.12697834  0.62372400  0.18168256  1
  H  H113  1  0.87302166  0.37627600  0.68168256  1
  H  H114  1  0.12372400  0.37302166  0.43168256  1
  H  H115  1  0.87627600  0.62697834  0.93168256  1
  H  H116  1  0.54333615  0.88147507  0.25358602  1
  H  H117  1  0.45666385  0.11852493  0.75358602  1
  H  H118  1  0.38147507  0.95666385  0.50358602  1
  H  H119  1  0.61852493  0.04333615  0.00358602  1
  H  H120  1  0.11852493  0.45666385  0.24641398  1
  H  H121  1  0.88147507  0.54333615  0.74641398  1
  H  H122  1  0.95666385  0.38147507  0.49641398  1
  H  H123  1  0.04333615  0.61852493  0.99641398  1
  H  H124  1  0.44807553  0.72288924  0.25668115  1
  H  H125  1  0.55192447  0.27711076  0.75668115  1
  H  H126  1  0.22288924  0.05192447  0.50668115  1
  H  H127  1  0.77711076  0.94807553  0.00668115  1
  H  H128  1  0.27711076  0.55192447  0.24331885  1
  H  H129  1  0.72288924  0.44807553  0.74331885  1
  H  H130  1  0.05192447  0.22288924  0.49331885  1
  H  H131  1  0.94807553  0.77711076  0.99331885  1
  H  H132  1  0.62835192  0.89550067  0.57644696  1
  H  H133  1  0.37164808  0.10449933  0.07644696  1
  H  H134  1  0.39550067  0.87164808  0.82644696  1
  H  H135  1  0.60449933  0.12835192  0.32644696  1
  H  H136  1  0.10449933  0.37164808  0.92355304  1
  H  H137  1  0.89550067  0.62835192  0.42355304  1
  H  H138  1  0.87164808  0.39550067  0.17355304  1
  H  H139  1  0.12835192  0.60449933  0.67355304  1
  H  H140  1  0.62140299  0.04986931  0.49517402  1
  H  H141  1  0.37859701  0.95013069  0.99517402  1
  H  H142  1  0.54986931  0.87859701  0.74517402  1
  H  H143  1  0.45013069  0.12140299  0.24517402  1
  H  H144  1  0.95013069  0.37859701  0.00482598  1
  H  H145  1  0.04986931  0.62140299  0.50482598  1
  H  H146  1  0.87859701  0.54986931  0.25482598  1
  H  H147  1  0.12140299  0.45013069  0.75482598  1
  H  H148  1  0.60852145  0.88038952  0.43457131  1
  H  H149  1  0.39147855  0.11961048  0.93457131  1
  H  H150  1  0.38038952  0.89147855  0.68457131  1
  H  H151  1  0.61961048  0.10852145  0.18457131  1
  H  H152  1  0.11961048  0.39147855  0.06542869  1
  H  H153  1  0.88038952  0.60852145  0.56542869  1
  H  H154  1  0.89147855  0.38038952  0.31542869  1
  H  H155  1  0.10852145  0.61961048  0.81542869  1
  H  H156  1  0.76803729  0.93593517  0.49074687  1
  H  H157  1  0.23196271  0.06406483  0.99074687  1
  H  H158  1  0.43593517  0.73196271  0.74074687  1
  H  H159  1  0.56406483  0.26803729  0.24074687  1
  H  H160  1  0.06406483  0.23196271  0.00925313  1
  H  H161  1  0.93593517  0.76803729  0.50925313  1
  H  H162  1  0.73196271  0.43593517  0.25925313  1
  H  H163  1  0.26803729  0.56406483  0.75925313  1
  N  N164  1  0.61891239  0.60795293  0.38826020  1
  N  N165  1  0.38108761  0.39204707  0.88826020  1
  N  N166  1  0.10795293  0.88108761  0.63826020  1
  N  N167  1  0.89204707  0.11891239  0.13826020  1
  N  N168  1  0.39204707  0.38108761  0.11173980  1
  N  N169  1  0.60795293  0.61891239  0.61173980  1
  N  N170  1  0.88108761  0.10795293  0.36173980  1
  N  N171  1  0.11891239  0.89204707  0.86173980  1
  N  N172  1  0.41819607  0.39732442  0.38688912  1
  N  N173  1  0.58180393  0.60267558  0.88688912  1
  N  N174  1  0.89732442  0.08180393  0.63688912  1
  N  N175  1  0.10267558  0.91819607  0.13688912  1
  N  N176  1  0.60267558  0.58180393  0.11311088  1
  N  N177  1  0.39732442  0.41819607  0.61311088  1
  N  N178  1  0.08180393  0.89732442  0.36311088  1
  N  N179  1  0.91819607  0.10267558  0.86311088  1
  N  N180  1  0.36460933  0.66131117  0.48577817  1
  N  N181  1  0.63539067  0.33868883  0.98577817  1
  N  N182  1  0.16131117  0.13539067  0.73577817  1
  N  N183  1  0.83868883  0.86460933  0.23577817  1
  N  N184  1  0.33868883  0.63539067  0.01422183  1
  N  N185  1  0.66131117  0.36460933  0.51422183  1
  N  N186  1  0.13539067  0.16131117  0.26422183  1
  N  N187  1  0.86460933  0.83868883  0.76422183  1
