# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.58527978
_cell_length_b   9.83996808
_cell_length_c   44.55666156
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   114.85194723
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H324
_cell_volume   6598.21378692
_cell_formula_units_Z   162
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
  H  H1  1  0.920097  0.949673  0.327581  1
  H  H2  1  0.769172  0.870447  0.343247  1
  H  H3  1  0.586764  0.949673  0.327581  1
  H  H4  1  0.623261  0.790585  0.360683  1
  H  H5  1  0.435839  0.870447  0.343247  1
  H  H6  1  0.420097  0.449673  0.327581  1
  H  H7  1  0.253430  0.949673  0.327581  1
  H  H8  1  0.289928  0.790585  0.360683  1
  H  H9  1  0.269172  0.370447  0.343247  1
  H  H10  1  0.102505  0.870447  0.343247  1
  H  H11  1  0.086764  0.449673  0.327581  1
  H  H12  1  0.123261  0.290585  0.360683  1
  H  H13  1  0.956594  0.790585  0.360683  1
  H  H14  1  0.935839  0.370447  0.343247  1
  H  H15  1  0.753430  0.449673  0.327581  1
  H  H16  1  0.789928  0.290585  0.360683  1
  H  H17  1  0.602505  0.370447  0.343247  1
  H  H18  1  0.456594  0.290585  0.360683  1
  H  H19  1  0.852505  0.120447  0.343247  1
  H  H20  1  0.706594  1.040585  0.360683  1
  H  H21  1  0.519172  0.120447  0.343247  1
  H  H22  1  0.503430  0.699673  0.327581  1
  H  H23  1  0.373261  1.040585  0.360683  1
  H  H24  1  0.352505  0.620447  0.343247  1
  H  H25  1  0.185839  0.120447  0.343247  1
  H  H26  1  0.170097  0.699673  0.327581  1
  H  H27  1  0.206594  0.540585  0.360683  1
  H  H28  1  0.039928  1.040585  0.360683  1
  H  H29  1  0.019172  0.620447  0.343247  1
  H  H30  1  0.003430  0.199673  0.327581  1
  H  H31  1  0.836764  0.699673  0.327581  1
  H  H32  1  0.873261  0.540585  0.360683  1
  H  H33  1  0.685839  0.620447  0.343247  1
  H  H34  1  0.670097  0.199673  0.327581  1
  H  H35  1  0.539928  0.540585  0.360683  1
  H  H36  1  0.336764  0.199673  0.327581  1
  H  H37  1  0.974625  0.211347  0.377292  1
  H  H38  1  0.827579  0.130780  0.393688  1
  H  H39  1  0.641292  0.211347  0.377292  1
  H  H40  1  0.679819  0.052300  0.410145  1
  H  H41  1  0.494245  0.130780  0.393688  1
  H  H42  1  0.474625  0.711347  0.377292  1
  H  H43  1  0.307959  0.211347  0.377292  1
  H  H44  1  0.346486  0.052300  0.410145  1
  H  H45  1  0.327579  0.630780  0.393688  1
  H  H46  1  0.160912  0.130780  0.393688  1
  H  H47  1  0.141292  0.711347  0.377292  1
  H  H48  1  0.179819  0.552300  0.410145  1
  H  H49  1  0.013152  0.052300  0.410145  1
  H  H50  1  -0.005755  0.630780  0.393688  1
  H  H51  1  0.807959  0.711347  0.377292  1
  H  H52  1  0.846486  0.552300  0.410145  1
  H  H53  1  0.660912  0.630780  0.393688  1
  H  H54  1  0.513152  0.552300  0.410145  1
  H  H55  1  0.910912  0.380780  0.393688  1
  H  H56  1  0.763152  0.302300  0.410145  1
  H  H57  1  0.577579  0.380780  0.393688  1
  H  H58  1  0.557959  0.961347  0.377292  1
  H  H59  1  0.429819  0.302300  0.410145  1
  H  H60  1  0.410912  0.880780  0.393688  1
  H  H61  1  0.244245  0.380780  0.393688  1
  H  H62  1  0.224625  0.961347  0.377292  1
  H  H63  1  0.263152  0.802300  0.410145  1
  H  H64  1  0.096486  0.302300  0.410145  1
  H  H65  1  0.077579  0.880780  0.393688  1
  H  H66  1  0.057959  0.461347  0.377292  1
  H  H67  1  0.891292  0.961347  0.377292  1
  H  H68  1  0.929819  0.802300  0.410145  1
  H  H69  1  0.744245  0.880780  0.393688  1
  H  H70  1  0.724625  0.461347  0.377292  1
  H  H71  1  0.596486  0.802300  0.410145  1
  H  H72  1  0.391292  0.461347  0.377292  1
  H  H73  1  0.032058  0.472124  0.426737  1
  H  H74  1  0.884392  0.392852  0.443185  1
  H  H75  1  0.698725  0.472124  0.426737  1
  H  H76  1  0.736703  0.313187  0.459793  1
  H  H77  1  0.551059  0.392852  0.443185  1
  H  H78  1  0.532058  0.972124  0.426737  1
  H  H79  1  0.365392  0.472124  0.426737  1
  H  H80  1  0.403370  0.313187  0.459793  1
  H  H81  1  0.384392  0.892852  0.443185  1
  H  H82  1  0.217725  0.392852  0.443185  1
  H  H83  1  0.198725  0.972124  0.426737  1
  H  H84  1  0.236703  0.813187  0.459793  1
  H  H85  1  0.070036  0.313187  0.459793  1
  H  H86  1  0.051059  0.892852  0.443185  1
  H  H87  1  0.865392  0.972124  0.426737  1
  H  H88  1  0.903370  0.813187  0.459793  1
  H  H89  1  0.717725  0.892852  0.443185  1
  H  H90  1  0.570036  0.813187  0.459793  1
  H  H91  1  0.967725  0.642852  0.443185  1
  H  H92  1  0.820036  0.563187  0.459793  1
  H  H93  1  0.634392  0.642852  0.443185  1
  H  H94  1  0.615392  0.222124  0.426737  1
  H  H95  1  0.486703  0.563187  0.459793  1
  H  H96  1  0.467725  0.142852  0.443185  1
  H  H97  1  0.301059  0.642852  0.443185  1
  H  H98  1  0.282058  0.222124  0.426737  1
  H  H99  1  0.320036  0.063187  0.459793  1
  H  H100  1  0.153370  0.563187  0.459793  1
  H  H101  1  0.134392  0.142852  0.443185  1
  H  H102  1  0.115392  0.722124  0.426737  1
  H  H103  1  0.948725  0.222124  0.426737  1
  H  H104  1  -0.013297  0.063187  0.459793  1
  H  H105  1  0.801059  0.142852  0.443185  1
  H  H106  1  0.782058  0.722124  0.426737  1
  H  H107  1  0.653370  0.063187  0.459793  1
  H  H108  1  0.448725  0.722124  0.426737  1
  H  H109  1  0.088956  0.733671  0.476339  1
  H  H110  1  0.941267  0.653993  0.492872  1
  H  H111  1  0.755623  0.733671  0.476339  1
  H  H112  1  0.793552  0.574398  0.509433  1
  H  H113  1  0.607934  0.653993  0.492872  1
  H  H114  1  0.588956  0.233671  0.476339  1
  H  H115  1  0.422290  0.733671  0.476339  1
  H  H116  1  0.460219  0.574398  0.509433  1
  H  H117  1  0.441267  0.153993  0.492872  1
  H  H118  1  0.274601  0.653993  0.492872  1
  H  H119  1  0.255623  0.233671  0.476339  1
  H  H120  1  0.293552  0.074398  0.509433  1
  H  H121  1  0.126886  0.574398  0.509433  1
  H  H122  1  0.107934  0.153993  0.492872  1
  H  H123  1  0.922290  0.233671  0.476339  1
  H  H124  1  0.960219  0.074398  0.509433  1
  H  H125  1  0.774601  0.153993  0.492872  1
  H  H126  1  0.626886  0.074398  0.509433  1
  H  H127  1  0.024601  0.903993  0.492872  1
  H  H128  1  0.876886  0.824398  0.509433  1
  H  H129  1  0.691267  0.903993  0.492872  1
  H  H130  1  0.672290  0.483671  0.476339  1
  H  H131  1  0.543552  0.824398  0.509433  1
  H  H132  1  0.524601  0.403993  0.492872  1
  H  H133  1  0.357934  0.903993  0.492872  1
  H  H134  1  0.338956  0.483671  0.476339  1
  H  H135  1  0.376886  0.324398  0.509433  1
  H  H136  1  0.210219  0.824398  0.509433  1
  H  H137  1  0.191267  0.403993  0.492872  1
  H  H138  1  0.172290  0.983671  0.476339  1
  H  H139  1  0.005623  0.483671  0.476339  1
  H  H140  1  0.043552  0.324398  0.509433  1
  H  H141  1  0.857934  0.403993  0.492872  1
  H  H142  1  0.838956  0.983671  0.476339  1
  H  H143  1  0.710219  0.324398  0.509433  1
  H  H144  1  0.505623  0.983671  0.476339  1
  H  H145  1  0.145829  0.994763  0.525984  1
  H  H146  1  -0.001874  0.915155  0.542532  1
  H  H147  1  0.812495  0.994763  0.525984  1
  H  H148  1  0.850423  0.835547  0.559080  1
  H  H149  1  0.664793  0.915155  0.542532  1
  H  H150  1  0.645829  0.494763  0.525984  1
  H  H151  1  0.479162  0.994763  0.525984  1
  H  H152  1  0.517090  0.835547  0.559080  1
  H  H153  1  0.498126  0.415155  0.542532  1
  H  H154  1  0.331459  0.915155  0.542532  1
  H  H155  1  0.312495  0.494763  0.525984  1
  H  H156  1  0.350423  0.335547  0.559080  1
  H  H157  1  0.183756  0.835547  0.559080  1
  H  H158  1  0.164793  0.415155  0.542532  1
  H  H159  1  -0.020838  0.494763  0.525984  1
  H  H160  1  0.017090  0.335547  0.559080  1
  H  H161  1  0.831459  0.415155  0.542532  1
  H  H162  1  0.683756  0.335547  0.559080  1
  H  H163  1  0.081459  0.165155  0.542532  1
  H  H164  1  0.933756  0.085547  0.559080  1
  H  H165  1  0.748126  0.165155  0.542532  1
  H  H166  1  0.729162  0.744763  0.525984  1
  H  H167  1  0.600423  0.085547  0.559080  1
  H  H168  1  0.581459  0.665155  0.542532  1
  H  H169  1  0.414793  0.165155  0.542532  1
  H  H170  1  0.395829  0.744763  0.525984  1
  H  H171  1  0.433756  0.585547  0.559080  1
  H  H172  1  0.267090  0.085547  0.559080  1
  H  H173  1  0.248126  0.665155  0.542532  1
  H  H174  1  0.229162  0.244763  0.525984  1
  H  H175  1  0.062495  0.744763  0.525984  1
  H  H176  1  0.100423  0.585547  0.559080  1
  H  H177  1  0.914793  0.665155  0.542532  1
  H  H178  1  0.895829  0.244763  0.525984  1
  H  H179  1  0.767090  0.585547  0.559080  1
  H  H180  1  0.562495  0.244763  0.525984  1
  H  H181  1  0.202699  0.255912  0.575630  1
  H  H182  1  0.054984  0.176317  0.592191  1
  H  H183  1  0.869366  0.255912  0.575630  1
  H  H184  1  0.907295  0.096639  0.608724  1
  H  H185  1  0.721651  0.176317  0.592191  1
  H  H186  1  0.702699  0.755912  0.575630  1
  H  H187  1  0.536033  0.255912  0.575630  1
  H  H188  1  0.573962  0.096639  0.608724  1
  H  H189  1  0.554984  0.676317  0.592191  1
  H  H190  1  0.388318  0.176317  0.592191  1
  H  H191  1  0.369366  0.755912  0.575630  1
  H  H192  1  0.407295  0.596639  0.608724  1
  H  H193  1  0.240629  0.096639  0.608724  1
  H  H194  1  0.221651  0.676317  0.592191  1
  H  H195  1  0.036033  0.755912  0.575630  1
  H  H196  1  0.073962  0.596639  0.608724  1
  H  H197  1  0.888318  0.676317  0.592191  1
  H  H198  1  0.740629  0.596639  0.608724  1
  H  H199  1  0.138318  0.426317  0.592191  1
  H  H200  1  -0.009371  0.346639  0.608724  1
  H  H201  1  0.804984  0.426317  0.592191  1
  H  H202  1  0.786033  1.005912  0.575630  1
  H  H203  1  0.657295  0.346639  0.608724  1
  H  H204  1  0.638318  0.926317  0.592191  1
  H  H205  1  0.471651  0.426317  0.592191  1
  H  H206  1  0.452699  1.005912  0.575630  1
  H  H207  1  0.490629  0.846639  0.608724  1
  H  H208  1  0.323962  0.346639  0.608724  1
  H  H209  1  0.304984  0.926317  0.592191  1
  H  H210  1  0.286033  0.505912  0.575630  1
  H  H211  1  0.119366  1.005912  0.575630  1
  H  H212  1  0.157295  0.846639  0.608724  1
  H  H213  1  0.971651  0.926317  0.592191  1
  H  H214  1  0.952699  0.505912  0.575630  1
  H  H215  1  0.823962  0.846639  0.608724  1
  H  H216  1  0.619366  0.505912  0.575630  1
  H  H217  1  0.259549  0.517123  0.625270  1
  H  H218  1  0.111860  0.437458  0.641878  1
  H  H219  1  0.926215  0.517123  0.625270  1
  H  H220  1  0.964193  0.358186  0.658326  1
  H  H221  1  0.778527  0.437458  0.641878  1
  H  H222  1  0.759549  1.017123  0.625270  1
  H  H223  1  0.592882  0.517123  0.625270  1
  H  H224  1  0.630860  0.358186  0.658326  1
  H  H225  1  0.611860  0.937458  0.641878  1
  H  H226  1  0.445193  0.437458  0.641878  1
  H  H227  1  0.426215  1.017123  0.625270  1
  H  H228  1  0.464193  0.858186  0.658326  1
  H  H229  1  0.297527  0.358186  0.658326  1
  H  H230  1  0.278527  0.937458  0.641878  1
  H  H231  1  0.092882  1.017123  0.625270  1
  H  H232  1  0.130860  0.858186  0.658326  1
  H  H233  1  0.945193  0.937458  0.641878  1
  H  H234  1  0.797527  0.858186  0.658326  1
  H  H235  1  0.195193  0.687458  0.641878  1
  H  H236  1  0.047527  0.608186  0.658326  1
  H  H237  1  0.861860  0.687458  0.641878  1
  H  H238  1  0.842882  0.267123  0.625270  1
  H  H239  1  0.714193  0.608186  0.658326  1
  H  H240  1  0.695193  0.187458  0.641878  1
  H  H241  1  0.528527  0.687458  0.641878  1
  H  H242  1  0.509549  0.267123  0.625270  1
  H  H243  1  0.547527  0.108186  0.658326  1
  H  H244  1  0.380860  0.608186  0.658326  1
  H  H245  1  0.361860  0.187458  0.641878  1
  H  H246  1  0.342882  0.767123  0.625270  1
  H  H247  1  0.176215  0.267123  0.625270  1
  H  H248  1  0.214193  0.108186  0.658326  1
  H  H249  1  0.028527  0.187458  0.641878  1
  H  H250  1  0.009549  0.767123  0.625270  1
  H  H251  1  0.880860  0.108186  0.658326  1
  H  H252  1  0.676215  0.767123  0.625270  1
  H  H253  1  0.316433  0.778010  0.674919  1
  H  H254  1  0.168673  0.699530  0.691376  1
  H  H255  1  -0.016901  0.778010  0.674919  1
  H  H256  1  0.021626  0.618963  0.707772  1
  H  H257  1  0.835340  0.699530  0.691376  1
  H  H258  1  0.816433  0.278010  0.674919  1
  H  H259  1  0.649766  0.778010  0.674919  1
  H  H260  1  0.688293  0.618963  0.707772  1
  H  H261  1  0.668673  0.199530  0.691376  1
  H  H262  1  0.502007  0.699530  0.691376  1
  H  H263  1  0.483099  0.278010  0.674919  1
  H  H264  1  0.521626  0.118963  0.707772  1
  H  H265  1  0.354960  0.618963  0.707772  1
  H  H266  1  0.335340  0.199530  0.691376  1
  H  H267  1  0.149766  0.278010  0.674919  1
  H  H268  1  0.188293  0.118963  0.707772  1
  H  H269  1  0.002007  0.199530  0.691376  1
  H  H270  1  0.854960  0.118963  0.707772  1
  H  H271  1  0.252007  0.949530  0.691376  1
  H  H272  1  0.104960  0.868963  0.707772  1
  H  H273  1  0.918673  0.949530  0.691376  1
  H  H274  1  0.899766  0.528010  0.674919  1
  H  H275  1  0.771626  0.868963  0.707772  1
  H  H276  1  0.752007  0.449530  0.691376  1
  H  H277  1  0.585340  0.949530  0.691376  1
  H  H278  1  0.566433  0.528010  0.674919  1
  H  H279  1  0.604960  0.368963  0.707772  1
  H  H280  1  0.438293  0.868963  0.707772  1
  H  H281  1  0.418673  0.449530  0.691376  1
  H  H282  1  0.399766  1.028010  0.674919  1
  H  H283  1  0.233099  0.528010  0.674919  1
  H  H284  1  0.271626  0.368963  0.707772  1
  H  H285  1  0.085340  0.449530  0.691376  1
  H  H286  1  0.066433  1.028010  0.674919  1
  H  H287  1  0.938293  0.368963  0.707772  1
  H  H288  1  0.733099  1.028010  0.674919  1
  H  H289  1  0.372991  1.039725  0.724380  1
  H  H290  1  0.227080  0.959863  0.741816  1
  H  H291  1  0.039657  1.039725  0.724380  1
  H  H292  1  0.076155  0.880637  0.757482  1
  H  H293  1  0.893746  0.959863  0.741816  1
  H  H294  1  0.872991  0.539725  0.724380  1
  H  H295  1  0.706324  1.039725  0.724380  1
  H  H296  1  0.742821  0.880637  0.757482  1
  H  H297  1  0.727080  0.459863  0.741816  1
  H  H298  1  0.560413  0.959863  0.741816  1
  H  H299  1  0.539657  0.539725  0.724380  1
  H  H300  1  0.576155  0.380637  0.757482  1
  H  H301  1  0.409488  0.880637  0.757482  1
  H  H302  1  0.393746  0.459863  0.741816  1
  H  H303  1  0.206324  0.539725  0.724380  1
  H  H304  1  0.242821  0.380637  0.757482  1
  H  H305  1  0.060413  0.459863  0.741816  1
  H  H306  1  0.909488  0.380637  0.757482  1
  H  H307  1  0.310413  0.209863  0.741816  1
  H  H308  1  0.159488  0.130637  0.757482  1
  H  H309  1  -0.022920  0.209863  0.741816  1
  H  H310  1  0.956324  0.789725  0.724380  1
  H  H311  1  0.826155  0.130637  0.757482  1
  H  H312  1  0.810413  0.709863  0.741816  1
  H  H313  1  0.643746  0.209863  0.741816  1
  H  H314  1  0.622991  0.789725  0.724380  1
  H  H315  1  0.659488  0.630637  0.757482  1
  H  H316  1  0.492821  0.130637  0.757482  1
  H  H317  1  0.477080  0.709863  0.741816  1
  H  H318  1  0.456324  0.289725  0.724380  1
  H  H319  1  0.289657  0.789725  0.724380  1
  H  H320  1  0.326155  0.630637  0.757482  1
  H  H321  1  0.143746  0.709863  0.741816  1
  H  H322  1  0.122991  0.289725  0.724380  1
  H  H323  1  -0.007179  0.630637  0.757482  1
  H  H324  1  0.789657  0.289725  0.724380  1
