# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.83214692
_cell_length_b   15.06844850
_cell_length_c   47.45714438
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   63.26545777
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H336
_cell_volume   8834.05277135
_cell_formula_units_Z   168
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  0.842772  0.127145  0.323039  1
  H  H2  1  0.342772  0.127145  0.323039  1
  H  H3  1  0.902886  0.504479  0.302205  1
  H  H4  1  0.963001  0.881813  0.281372  1
  H  H5  1  0.402886  0.504479  0.302205  1
  H  H6  1  0.463001  0.881813  0.281372  1
  H  H7  1  0.545459  0.973690  0.339436  1
  H  H8  1  0.045459  0.973690  0.339436  1
  H  H9  1  0.605573  0.351024  0.318602  1
  H  H10  1  0.665688  0.728358  0.297769  1
  H  H11  1  0.105573  0.351024  0.318602  1
  H  H12  1  0.165688  0.728358  0.297769  1
  H  H13  1  0.090995  0.328958  0.306398  1
  H  H14  1  0.590995  0.328958  0.306398  1
  H  H15  1  0.151110  0.706292  0.285564  1
  H  H16  1  0.030881  0.951624  0.327231  1
  H  H17  1  0.651110  0.706292  0.285564  1
  H  H18  1  0.530881  0.951624  0.327231  1
  H  H19  1  0.793682  0.175502  0.322795  1
  H  H20  1  0.293682  0.175502  0.322795  1
  H  H21  1  0.853796  0.552836  0.301961  1
  H  H22  1  0.733568  0.798169  0.343628  1
  H  H23  1  0.353796  0.552836  0.301961  1
  H  H24  1  0.233568  0.798169  0.343628  1
  H  H25  1  0.592772  0.127145  0.323039  1
  H  H26  1  0.092772  0.127145  0.323039  1
  H  H27  1  0.652886  0.504479  0.302205  1
  H  H28  1  0.713001  0.881813  0.281372  1
  H  H29  1  0.152886  0.504479  0.302205  1
  H  H30  1  0.213001  0.881813  0.281372  1
  H  H31  1  0.795459  0.973690  0.339436  1
  H  H32  1  0.295459  0.973690  0.339436  1
  H  H33  1  0.855573  0.351024  0.318602  1
  H  H34  1  0.915688  0.728358  0.297769  1
  H  H35  1  0.355573  0.351024  0.318602  1
  H  H36  1  0.415688  0.728358  0.297769  1
  H  H37  1  0.840995  0.328958  0.306398  1
  H  H38  1  0.340995  0.328958  0.306398  1
  H  H39  1  0.901110  0.706292  0.285564  1
  H  H40  1  0.780881  0.951624  0.327231  1
  H  H41  1  0.401110  0.706292  0.285564  1
  H  H42  1  0.280881  0.951624  0.327231  1
  H  H43  1  0.043682  0.175502  0.322795  1
  H  H44  1  0.543682  0.175502  0.322795  1
  H  H45  1  0.103796  0.552836  0.301961  1
  H  H46  1  0.983568  0.798169  0.343628  1
  H  H47  1  0.603796  0.552836  0.301961  1
  H  H48  1  0.483568  0.798169  0.343628  1
  H  H49  1  0.662429  0.995143  0.385539  1
  H  H50  1  0.162429  0.995143  0.385539  1
  H  H51  1  0.722543  0.372477  0.364705  1
  H  H52  1  0.782658  0.749811  0.343872  1
  H  H53  1  0.222543  0.372477  0.364705  1
  H  H54  1  0.282658  0.749811  0.343872  1
  H  H55  1  0.365116  0.841688  0.401936  1
  H  H56  1  0.865116  0.841688  0.401936  1
  H  H57  1  0.425230  0.219022  0.381102  1
  H  H58  1  0.485344  0.596356  0.360269  1
  H  H59  1  0.925230  0.219022  0.381102  1
  H  H60  1  0.985344  0.596356  0.360269  1
  H  H61  1  0.910652  0.196956  0.368898  1
  H  H62  1  0.410652  0.196956  0.368898  1
  H  H63  1  0.970766  0.574290  0.348064  1
  H  H64  1  0.850538  0.819622  0.389731  1
  H  H65  1  0.470766  0.574290  0.348064  1
  H  H66  1  0.350538  0.819622  0.389731  1
  H  H67  1  0.613339  0.043501  0.385295  1
  H  H68  1  0.113339  0.043501  0.385295  1
  H  H69  1  0.673453  0.420835  0.364461  1
  H  H70  1  0.553224  0.666167  0.406128  1
  H  H71  1  0.173453  0.420835  0.364461  1
  H  H72  1  0.053224  0.666167  0.406128  1
  H  H73  1  0.412429  0.995143  0.385539  1
  H  H74  1  0.912429  0.995143  0.385539  1
  H  H75  1  0.472543  0.372477  0.364705  1
  H  H76  1  0.532658  0.749811  0.343872  1
  H  H77  1  0.972543  0.372477  0.364705  1
  H  H78  1  0.032658  0.749811  0.343872  1
  H  H79  1  0.615116  0.841688  0.401936  1
  H  H80  1  0.115116  0.841688  0.401936  1
  H  H81  1  0.675230  0.219022  0.381102  1
  H  H82  1  0.735344  0.596356  0.360269  1
  H  H83  1  0.175230  0.219022  0.381102  1
  H  H84  1  0.235344  0.596356  0.360269  1
  H  H85  1  0.660652  0.196956  0.368898  1
  H  H86  1  0.160652  0.196956  0.368898  1
  H  H87  1  0.720766  0.574290  0.348064  1
  H  H88  1  0.600538  0.819622  0.389731  1
  H  H89  1  0.220766  0.574290  0.348064  1
  H  H90  1  0.100538  0.819622  0.389731  1
  H  H91  1  0.863339  0.043501  0.385295  1
  H  H92  1  0.363339  0.043501  0.385295  1
  H  H93  1  0.923453  0.420835  0.364461  1
  H  H94  1  0.803224  0.666167  0.406128  1
  H  H95  1  0.423453  0.420835  0.364461  1
  H  H96  1  0.303224  0.666167  0.406128  1
  H  H97  1  0.482086  0.863141  0.448039  1
  H  H98  1  0.982086  0.863141  0.448039  1
  H  H99  1  0.542200  0.240475  0.427205  1
  H  H100  1  0.602314  0.617809  0.406372  1
  H  H101  1  0.042200  0.240475  0.427205  1
  H  H102  1  0.102314  0.617809  0.406372  1
  H  H103  1  0.184772  0.709686  0.464436  1
  H  H104  1  0.684772  0.709686  0.464436  1
  H  H105  1  0.244887  0.087020  0.443602  1
  H  H106  1  0.305001  0.464354  0.422769  1
  H  H107  1  0.744887  0.087020  0.443602  1
  H  H108  1  0.805001  0.464354  0.422769  1
  H  H109  1  0.730309  0.064954  0.431398  1
  H  H110  1  0.230309  0.064954  0.431398  1
  H  H111  1  0.790423  0.442288  0.410564  1
  H  H112  1  0.670195  0.687620  0.452231  1
  H  H113  1  0.290423  0.442288  0.410564  1
  H  H114  1  0.170195  0.687620  0.452231  1
  H  H115  1  0.432996  0.911499  0.447795  1
  H  H116  1  0.932996  0.911499  0.447795  1
  H  H117  1  0.493110  0.288833  0.426961  1
  H  H118  1  0.372881  0.534165  0.468628  1
  H  H119  1  0.993110  0.288833  0.426961  1
  H  H120  1  0.872881  0.534165  0.468628  1
  H  H121  1  0.232086  0.863141  0.448039  1
  H  H122  1  0.732086  0.863141  0.448039  1
  H  H123  1  0.292200  0.240475  0.427205  1
  H  H124  1  0.352314  0.617809  0.406372  1
  H  H125  1  0.792200  0.240475  0.427205  1
  H  H126  1  0.852314  0.617809  0.406372  1
  H  H127  1  0.434772  0.709686  0.464436  1
  H  H128  1  0.934772  0.709686  0.464436  1
  H  H129  1  0.494887  0.087020  0.443602  1
  H  H130  1  0.555001  0.464354  0.422769  1
  H  H131  1  0.994887  0.087020  0.443602  1
  H  H132  1  0.055001  0.464354  0.422769  1
  H  H133  1  0.480309  0.064954  0.431398  1
  H  H134  1  0.980309  0.064954  0.431398  1
  H  H135  1  0.540423  0.442288  0.410564  1
  H  H136  1  0.420195  0.687620  0.452231  1
  H  H137  1  0.040423  0.442288  0.410564  1
  H  H138  1  0.920195  0.687620  0.452231  1
  H  H139  1  0.682996  0.911499  0.447795  1
  H  H140  1  0.182996  0.911499  0.447795  1
  H  H141  1  0.743110  0.288833  0.426961  1
  H  H142  1  0.622881  0.534165  0.468628  1
  H  H143  1  0.243110  0.288833  0.426961  1
  H  H144  1  0.122881  0.534165  0.468628  1
  H  H145  1  0.301743  0.731140  0.510539  1
  H  H146  1  0.801743  0.731140  0.510539  1
  H  H147  1  0.361857  0.108474  0.489705  1
  H  H148  1  0.421971  0.485808  0.468872  1
  H  H149  1  0.861857  0.108474  0.489705  1
  H  H150  1  0.921971  0.485808  0.468872  1
  H  H151  1  0.004429  0.577684  0.526936  1
  H  H152  1  0.504429  0.577684  0.526936  1
  H  H153  1  0.064544  0.955018  0.506102  1
  H  H154  1  0.124658  0.332352  0.485269  1
  H  H155  1  0.564544  0.955018  0.506102  1
  H  H156  1  0.624658  0.332352  0.485269  1
  H  H157  1  0.549966  0.932952  0.493898  1
  H  H158  1  0.049966  0.932952  0.493898  1
  H  H159  1  0.610080  0.310286  0.473064  1
  H  H160  1  0.489851  0.555618  0.514731  1
  H  H161  1  0.110080  0.310286  0.473064  1
  H  H162  1  0.989851  0.555618  0.514731  1
  H  H163  1  0.252653  0.779497  0.510295  1
  H  H164  1  0.752653  0.779497  0.510295  1
  H  H165  1  0.312767  0.156831  0.489461  1
  H  H166  1  0.192538  0.402163  0.531128  1
  H  H167  1  0.812767  0.156831  0.489461  1
  H  H168  1  0.692538  0.402163  0.531128  1
  H  H169  1  0.051743  0.731140  0.510539  1
  H  H170  1  0.551743  0.731140  0.510539  1
  H  H171  1  0.111857  0.108474  0.489705  1
  H  H172  1  0.171971  0.485808  0.468872  1
  H  H173  1  0.611857  0.108474  0.489705  1
  H  H174  1  0.671971  0.485808  0.468872  1
  H  H175  1  0.254429  0.577684  0.526936  1
  H  H176  1  0.754429  0.577684  0.526936  1
  H  H177  1  0.314544  0.955018  0.506102  1
  H  H178  1  0.374658  0.332352  0.485269  1
  H  H179  1  0.814544  0.955018  0.506102  1
  H  H180  1  0.874658  0.332352  0.485269  1
  H  H181  1  0.299966  0.932952  0.493898  1
  H  H182  1  0.799966  0.932952  0.493898  1
  H  H183  1  0.360080  0.310286  0.473064  1
  H  H184  1  0.239851  0.555618  0.514731  1
  H  H185  1  0.860080  0.310286  0.473064  1
  H  H186  1  0.739851  0.555618  0.514731  1
  H  H187  1  0.502653  0.779497  0.510295  1
  H  H188  1  0.002653  0.779497  0.510295  1
  H  H189  1  0.562767  0.156831  0.489461  1
  H  H190  1  0.442538  0.402163  0.531128  1
  H  H191  1  0.062767  0.156831  0.489461  1
  H  H192  1  0.942538  0.402163  0.531128  1
  H  H193  1  0.121399  0.599138  0.573039  1
  H  H194  1  0.621399  0.599138  0.573039  1
  H  H195  1  0.181514  0.976472  0.552205  1
  H  H196  1  0.241628  0.353806  0.531372  1
  H  H197  1  0.681514  0.976472  0.552205  1
  H  H198  1  0.741628  0.353806  0.531372  1
  H  H199  1  0.824086  0.445682  0.589436  1
  H  H200  1  0.324086  0.445682  0.589436  1
  H  H201  1  0.884201  0.823016  0.568602  1
  H  H202  1  0.944315  0.200350  0.547769  1
  H  H203  1  0.384201  0.823016  0.568602  1
  H  H204  1  0.444315  0.200350  0.547769  1
  H  H205  1  0.369623  0.800951  0.556398  1
  H  H206  1  0.869623  0.800951  0.556398  1
  H  H207  1  0.429737  0.178284  0.535564  1
  H  H208  1  0.309508  0.423617  0.577231  1
  H  H209  1  0.929737  0.178284  0.535564  1
  H  H210  1  0.809508  0.423617  0.577231  1
  H  H211  1  0.072309  0.647495  0.572795  1
  H  H212  1  0.572309  0.647495  0.572795  1
  H  H213  1  0.132424  0.024829  0.551961  1
  H  H214  1  0.012195  0.270161  0.593628  1
  H  H215  1  0.632424  0.024829  0.551961  1
  H  H216  1  0.512195  0.270161  0.593628  1
  H  H217  1  0.871399  0.599138  0.573039  1
  H  H218  1  0.371399  0.599138  0.573039  1
  H  H219  1  0.931514  0.976472  0.552205  1
  H  H220  1  0.991628  0.353806  0.531372  1
  H  H221  1  0.431514  0.976472  0.552205  1
  H  H222  1  0.491628  0.353806  0.531372  1
  H  H223  1  0.074086  0.445682  0.589436  1
  H  H224  1  0.574086  0.445682  0.589436  1
  H  H225  1  0.134201  0.823016  0.568602  1
  H  H226  1  0.194315  0.200350  0.547769  1
  H  H227  1  0.634201  0.823016  0.568602  1
  H  H228  1  0.694315  0.200350  0.547769  1
  H  H229  1  0.119623  0.800951  0.556398  1
  H  H230  1  0.619623  0.800951  0.556398  1
  H  H231  1  0.179737  0.178284  0.535564  1
  H  H232  1  0.059508  0.423617  0.577231  1
  H  H233  1  0.679737  0.178284  0.535564  1
  H  H234  1  0.559508  0.423617  0.577231  1
  H  H235  1  0.322309  0.647495  0.572795  1
  H  H236  1  0.822309  0.647495  0.572795  1
  H  H237  1  0.382424  0.024829  0.551961  1
  H  H238  1  0.262195  0.270161  0.593628  1
  H  H239  1  0.882424  0.024829  0.551961  1
  H  H240  1  0.762195  0.270161  0.593628  1
  H  H241  1  0.941056  0.467136  0.635539  1
  H  H242  1  0.441056  0.467136  0.635539  1
  H  H243  1  0.001171  0.844470  0.614705  1
  H  H244  1  0.061285  0.221804  0.593872  1
  H  H245  1  0.501171  0.844470  0.614705  1
  H  H246  1  0.561285  0.221804  0.593872  1
  H  H247  1  0.643743  0.313681  0.651936  1
  H  H248  1  0.143743  0.313681  0.651936  1
  H  H249  1  0.703857  0.691015  0.631102  1
  H  H250  1  0.763972  0.068348  0.610269  1
  H  H251  1  0.203857  0.691015  0.631102  1
  H  H252  1  0.263972  0.068348  0.610269  1
  H  H253  1  0.189279  0.668949  0.618898  1
  H  H254  1  0.689279  0.668949  0.618898  1
  H  H255  1  0.249394  0.046283  0.598064  1
  H  H256  1  0.129165  0.291615  0.639731  1
  H  H257  1  0.749394  0.046283  0.598064  1
  H  H258  1  0.629165  0.291615  0.639731  1
  H  H259  1  0.891966  0.515493  0.635295  1
  H  H260  1  0.391966  0.515493  0.635295  1
  H  H261  1  0.952081  0.892827  0.614461  1
  H  H262  1  0.831852  0.138159  0.656128  1
  H  H263  1  0.452081  0.892827  0.614461  1
  H  H264  1  0.331852  0.138159  0.656128  1
  H  H265  1  0.691056  0.467136  0.635539  1
  H  H266  1  0.191056  0.467136  0.635539  1
  H  H267  1  0.751171  0.844470  0.614705  1
  H  H268  1  0.811285  0.221804  0.593872  1
  H  H269  1  0.251171  0.844470  0.614705  1
  H  H270  1  0.311285  0.221804  0.593872  1
  H  H271  1  0.893743  0.313681  0.651936  1
  H  H272  1  0.393743  0.313681  0.651936  1
  H  H273  1  0.953857  0.691015  0.631102  1
  H  H274  1  0.013972  0.068348  0.610269  1
  H  H275  1  0.453857  0.691015  0.631102  1
  H  H276  1  0.513972  0.068348  0.610269  1
  H  H277  1  0.939279  0.668949  0.618898  1
  H  H278  1  0.439279  0.668949  0.618898  1
  H  H279  1  0.999394  0.046283  0.598064  1
  H  H280  1  0.879165  0.291615  0.639731  1
  H  H281  1  0.499394  0.046283  0.598064  1
  H  H282  1  0.379165  0.291615  0.639731  1
  H  H283  1  0.141966  0.515493  0.635295  1
  H  H284  1  0.641966  0.515493  0.635295  1
  H  H285  1  0.202081  0.892827  0.614461  1
  H  H286  1  0.081852  0.138159  0.656128  1
  H  H287  1  0.702081  0.892827  0.614461  1
  H  H288  1  0.581852  0.138159  0.656128  1
  H  H289  1  0.760713  0.335134  0.698039  1
  H  H290  1  0.260713  0.335134  0.698039  1
  H  H291  1  0.820827  0.712468  0.677205  1
  H  H292  1  0.880942  0.089802  0.656372  1
  H  H293  1  0.320827  0.712468  0.677205  1
  H  H294  1  0.380942  0.089802  0.656372  1
  H  H295  1  0.463400  0.181679  0.714436  1
  H  H296  1  0.963400  0.181679  0.714436  1
  H  H297  1  0.523514  0.559013  0.693602  1
  H  H298  1  0.583629  0.936347  0.672769  1
  H  H299  1  0.023514  0.559013  0.693602  1
  H  H300  1  0.083629  0.936347  0.672769  1
  H  H301  1  0.008936  0.536947  0.681398  1
  H  H302  1  0.508936  0.536947  0.681398  1
  H  H303  1  0.069051  0.914281  0.660564  1
  H  H304  1  0.948822  0.159613  0.702231  1
  H  H305  1  0.569051  0.914281  0.660564  1
  H  H306  1  0.448822  0.159613  0.702231  1
  H  H307  1  0.711623  0.383491  0.697795  1
  H  H308  1  0.211623  0.383491  0.697795  1
  H  H309  1  0.771738  0.760825  0.676961  1
  H  H310  1  0.651509  0.006158  0.718628  1
  H  H311  1  0.271738  0.760825  0.676961  1
  H  H312  1  0.151509  0.006158  0.718628  1
  H  H313  1  0.510713  0.335134  0.698039  1
  H  H314  1  0.010713  0.335134  0.698039  1
  H  H315  1  0.570827  0.712468  0.677205  1
  H  H316  1  0.630942  0.089802  0.656372  1
  H  H317  1  0.070827  0.712468  0.677205  1
  H  H318  1  0.130942  0.089802  0.656372  1
  H  H319  1  0.713400  0.181679  0.714436  1
  H  H320  1  0.213400  0.181679  0.714436  1
  H  H321  1  0.773514  0.559013  0.693602  1
  H  H322  1  0.833629  0.936347  0.672769  1
  H  H323  1  0.273514  0.559013  0.693602  1
  H  H324  1  0.333629  0.936347  0.672769  1
  H  H325  1  0.758936  0.536947  0.681398  1
  H  H326  1  0.258936  0.536947  0.681398  1
  H  H327  1  0.819051  0.914281  0.660564  1
  H  H328  1  0.698822  0.159613  0.702231  1
  H  H329  1  0.319051  0.914281  0.660564  1
  H  H330  1  0.198822  0.159613  0.702231  1
  H  H331  1  0.961623  0.383491  0.697795  1
  H  H332  1  0.461623  0.383491  0.697795  1
  H  H333  1  0.021738  0.760825  0.676961  1
  H  H334  1  0.901509  0.006158  0.718628  1
  H  H335  1  0.521738  0.760825  0.676961  1
  H  H336  1  0.401509  0.006158  0.718628  1
