# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.10913958
_cell_length_b   12.38757869
_cell_length_c   46.83501672
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.01297150
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H360
_cell_volume   7008.16461333
_cell_formula_units_Z   180
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  0.327879  0.840229  0.281867  1
  H  H2  1  0.336750  0.481844  0.298606  1
  H  H3  1  0.477051  0.542945  0.267397  1
  H  H4  1  0.661212  0.506895  0.281867  1
  H  H5  1  0.310385  0.209612  0.267397  1
  H  H6  1  0.494546  0.173562  0.281867  1
  H  H7  1  0.503416  0.815177  0.298606  1
  H  H8  1  0.643718  0.876278  0.267397  1
  H  H9  1  0.827879  0.840229  0.281867  1
  H  H10  1  0.836750  0.481844  0.298606  1
  H  H11  1  0.977051  0.542945  0.267397  1
  H  H12  1  0.161212  0.506895  0.281867  1
  H  H13  1  0.670083  0.148511  0.298606  1
  H  H14  1  0.810385  0.209612  0.267397  1
  H  H15  1  0.994546  0.173562  0.281867  1
  H  H16  1  0.003416  0.815177  0.298606  1
  H  H17  1  0.143718  0.876278  0.267397  1
  H  H18  1  0.170083  0.148511  0.298606  1
  H  H19  1  0.291390  0.658979  0.289753  1
  H  H20  1  0.296032  0.304562  0.308324  1
  H  H21  1  0.443072  0.355279  0.275823  1
  H  H22  1  0.624723  0.325645  0.289753  1
  H  H23  1  0.276405  0.021945  0.275823  1
  H  H24  1  0.458056  0.992312  0.289753  1
  H  H25  1  0.462698  0.637895  0.308324  1
  H  H26  1  0.609739  0.688612  0.275823  1
  H  H27  1  0.791390  0.658979  0.289753  1
  H  H28  1  0.796032  0.304562  0.308324  1
  H  H29  1  0.943072  0.355279  0.275823  1
  H  H30  1  0.124723  0.325645  0.289753  1
  H  H31  1  0.629365  0.971228  0.308324  1
  H  H32  1  0.776405  0.021945  0.275823  1
  H  H33  1  0.958056  0.992312  0.289753  1
  H  H34  1  0.962698  0.637895  0.308324  1
  H  H35  1  0.109739  0.688612  0.275823  1
  H  H36  1  0.129365  0.971228  0.308324  1
  H  H37  1  0.357076  0.770534  0.329250  1
  H  H38  1  0.368071  0.414973  0.344793  1
  H  H39  1  0.516111  0.461186  0.313841  1
  H  H40  1  0.690409  0.437201  0.329250  1
  H  H41  1  0.349444  0.127852  0.313841  1
  H  H42  1  0.523743  0.103867  0.329250  1
  H  H43  1  0.534738  0.748306  0.344793  1
  H  H44  1  0.682777  0.794519  0.313841  1
  H  H45  1  0.857076  0.770534  0.329250  1
  H  H46  1  0.868071  0.414973  0.344793  1
  H  H47  1  0.016111  0.461186  0.313841  1
  H  H48  1  0.190409  0.437201  0.329250  1
  H  H49  1  0.701404  0.081639  0.344793  1
  H  H50  1  0.849444  0.127852  0.313841  1
  H  H51  1  0.023743  0.103867  0.329250  1
  H  H52  1  0.034738  0.748306  0.344793  1
  H  H53  1  0.182777  0.794519  0.313841  1
  H  H54  1  0.201404  0.081639  0.344793  1
  H  H55  1  0.312630  0.591150  0.337584  1
  H  H56  1  0.322031  0.235020  0.353163  1
  H  H57  1  0.472670  0.281650  0.321939  1
  H  H58  1  0.645963  0.257817  0.337584  1
  H  H59  1  0.306003  0.948317  0.321939  1
  H  H60  1  0.479297  0.924484  0.337584  1
  H  H61  1  0.488698  0.568353  0.353163  1
  H  H62  1  0.639336  0.614983  0.321939  1
  H  H63  1  0.812630  0.591150  0.337584  1
  H  H64  1  0.822031  0.235020  0.353163  1
  H  H65  1  0.972670  0.281650  0.321939  1
  H  H66  1  0.145963  0.257817  0.337584  1
  H  H67  1  0.655364  0.901687  0.353163  1
  H  H68  1  0.806003  0.948317  0.321939  1
  H  H69  1  0.979297  0.924484  0.337584  1
  H  H70  1  0.988698  0.568353  0.353163  1
  H  H71  1  0.139336  0.614983  0.321939  1
  H  H72  1  0.155364  0.901687  0.353163  1
  H  H73  1  0.385386  0.701475  0.375252  1
  H  H74  1  0.394037  0.344996  0.390777  1
  H  H75  1  0.542999  0.390932  0.359993  1
  H  H76  1  0.718720  0.368141  0.375252  1
  H  H77  1  0.376333  0.057599  0.359993  1
  H  H78  1  0.552053  0.034808  0.375252  1
  H  H79  1  0.560704  0.678330  0.390777  1
  H  H80  1  0.709666  0.724265  0.359993  1
  H  H81  1  0.885386  0.701475  0.375252  1
  H  H82  1  0.894037  0.344996  0.390777  1
  H  H83  1  0.042999  0.390932  0.359993  1
  H  H84  1  0.218720  0.368141  0.375252  1
  H  H85  1  0.727371  0.011663  0.390777  1
  H  H86  1  0.876333  0.057599  0.359993  1
  H  H87  1  0.052053  0.034808  0.375252  1
  H  H88  1  0.060704  0.678330  0.390777  1
  H  H89  1  0.209666  0.724265  0.359993  1
  H  H90  1  0.227371  0.011663  0.390777  1
  H  H91  1  0.338716  0.522431  0.383611  1
  H  H92  1  0.347557  0.165660  0.398943  1
  H  H93  1  0.496786  0.211985  0.368126  1
  H  H94  1  0.672050  0.189098  0.383611  1
  H  H95  1  0.330120  0.878651  0.368126  1
  H  H96  1  0.505383  0.855764  0.383611  1
  H  H97  1  0.514223  0.498994  0.398943  1
  H  H98  1  0.663453  0.545318  0.368126  1
  H  H99  1  0.838716  0.522431  0.383611  1
  H  H100  1  0.847557  0.165660  0.398943  1
  H  H101  1  0.996786  0.211985  0.368126  1
  H  H102  1  0.172050  0.189098  0.383611  1
  H  H103  1  0.680890  0.832327  0.398943  1
  H  H104  1  0.830120  0.878651  0.368126  1
  H  H105  1  0.005383  0.855764  0.383611  1
  H  H106  1  0.014223  0.498994  0.398943  1
  H  H107  1  0.163453  0.545318  0.368126  1
  H  H108  1  0.180890  0.832327  0.398943  1
  H  H109  1  0.411464  0.631902  0.421428  1
  H  H110  1  0.420154  0.275286  0.436826  1
  H  H111  1  0.569411  0.321653  0.406070  1
  H  H112  1  0.744798  0.298569  0.421428  1
  H  H113  1  0.402744  0.988320  0.406070  1
  H  H114  1  0.578131  0.965235  0.421428  1
  H  H115  1  0.586821  0.608619  0.436826  1
  H  H116  1  0.736077  0.654987  0.406070  1
  H  H117  1  0.911464  0.631902  0.421428  1
  H  H118  1  0.920154  0.275286  0.436826  1
  H  H119  1  0.069411  0.321653  0.406070  1
  H  H120  1  0.244798  0.298569  0.421428  1
  H  H121  1  0.753487  0.941952  0.436826  1
  H  H122  1  0.902744  0.988320  0.406070  1
  H  H123  1  0.078131  0.965235  0.421428  1
  H  H124  1  0.086821  0.608619  0.436826  1
  H  H125  1  0.236077  0.654987  0.406070  1
  H  H126  1  0.253487  0.941952  0.436826  1
  H  H127  1  0.364958  0.452779  0.429649  1
  H  H128  1  0.373696  0.096168  0.444991  1
  H  H129  1  0.522916  0.142516  0.414235  1
  H  H130  1  0.698291  0.119445  0.429649  1
  H  H131  1  0.356249  0.809183  0.414235  1
  H  H132  1  0.531625  0.786112  0.429649  1
  H  H133  1  0.540362  0.429501  0.444991  1
  H  H134  1  0.689583  0.475850  0.414235  1
  H  H135  1  0.864958  0.452779  0.429649  1
  H  H136  1  0.873696  0.096168  0.444991  1
  H  H137  1  0.022916  0.142516  0.414235  1
  H  H138  1  0.198291  0.119445  0.429649  1
  H  H139  1  0.707029  0.762835  0.444991  1
  H  H140  1  0.856249  0.809183  0.414235  1
  H  H141  1  0.031625  0.786112  0.429649  1
  H  H142  1  0.040362  0.429501  0.444991  1
  H  H143  1  0.189583  0.475850  0.414235  1
  H  H144  1  0.207029  0.762835  0.444991  1
  H  H145  1  0.437568  0.562279  0.467544  1
  H  H146  1  0.446272  0.205720  0.482913  1
  H  H147  1  0.595524  0.252111  0.452173  1
  H  H148  1  0.770902  0.228945  0.467544  1
  H  H149  1  0.428857  0.918778  0.452173  1
  H  H150  1  0.604235  0.895612  0.467544  1
  H  H151  1  0.612939  0.539054  0.482913  1
  H  H152  1  0.762191  0.585445  0.452173  1
  H  H153  1  0.937568  0.562279  0.467544  1
  H  H154  1  0.946272  0.205720  0.482913  1
  H  H155  1  0.095524  0.252111  0.452173  1
  H  H156  1  0.270902  0.228945  0.467544  1
  H  H157  1  0.779606  0.872387  0.482913  1
  H  H158  1  0.928857  0.918778  0.452173  1
  H  H159  1  0.104235  0.895612  0.467544  1
  H  H160  1  0.112939  0.539054  0.482913  1
  H  H161  1  0.262191  0.585445  0.452173  1
  H  H162  1  0.279606  0.872387  0.482913  1
  H  H163  1  0.391109  0.383160  0.475715  1
  H  H164  1  0.399816  0.026620  0.491078  1
  H  H165  1  0.549060  0.073011  0.460345  1
  H  H166  1  0.724443  0.049826  0.475715  1
  H  H167  1  0.382393  0.739677  0.460345  1
  H  H168  1  0.557776  0.716493  0.475715  1
  H  H169  1  0.566482  0.359954  0.491078  1
  H  H170  1  0.715727  0.406344  0.460345  1
  H  H171  1  0.891109  0.383160  0.475715  1
  H  H172  1  0.899816  0.026620  0.491078  1
  H  H173  1  0.049060  0.073011  0.460345  1
  H  H174  1  0.224443  0.049826  0.475715  1
  H  H175  1  0.733149  0.693287  0.491078  1
  H  H176  1  0.882393  0.739677  0.460345  1
  H  H177  1  0.057776  0.716493  0.475715  1
  H  H178  1  0.066482  0.359954  0.491078  1
  H  H179  1  0.215727  0.406344  0.460345  1
  H  H180  1  0.233149  0.693287  0.491078  1
  H  H181  1  0.463685  0.492679  0.513634  1
  H  H182  1  0.472401  0.136161  0.529005  1
  H  H183  1  0.621645  0.182551  0.498272  1
  H  H184  1  0.797018  0.159345  0.513634  1
  H  H185  1  0.454979  0.849218  0.498272  1
  H  H186  1  0.630351  0.826012  0.513634  1
  H  H187  1  0.639068  0.469494  0.529005  1
  H  H188  1  0.788312  0.515885  0.498272  1
  H  H189  1  0.963685  0.492679  0.513634  1
  H  H190  1  0.972401  0.136161  0.529005  1
  H  H191  1  0.121645  0.182551  0.498272  1
  H  H192  1  0.297018  0.159345  0.513634  1
  H  H193  1  0.805734  0.802828  0.529005  1
  H  H194  1  0.954979  0.849218  0.498272  1
  H  H195  1  0.130351  0.826012  0.513634  1
  H  H196  1  0.139068  0.469494  0.529005  1
  H  H197  1  0.288312  0.515885  0.498272  1
  H  H198  1  0.305734  0.802828  0.529005  1
  H  H199  1  0.417226  0.313560  0.521806  1
  H  H200  1  0.425937  0.957060  0.537176  1
  H  H201  1  0.575189  0.003451  0.506437  1
  H  H202  1  0.750559  0.980226  0.521806  1
  H  H203  1  0.408522  0.670118  0.506437  1
  H  H204  1  0.583893  0.646893  0.521806  1
  H  H205  1  0.592603  0.290394  0.537176  1
  H  H206  1  0.741855  0.336785  0.506437  1
  H  H207  1  0.917226  0.313560  0.521806  1
  H  H208  1  0.925937  0.957060  0.537176  1
  H  H209  1  0.075189  0.003451  0.506437  1
  H  H210  1  0.250559  0.980226  0.521806  1
  H  H211  1  0.759270  0.623727  0.537176  1
  H  H212  1  0.908522  0.670118  0.506437  1
  H  H213  1  0.083893  0.646893  0.521806  1
  H  H214  1  0.092603  0.290394  0.537176  1
  H  H215  1  0.241855  0.336785  0.506437  1
  H  H216  1  0.259270  0.623727  0.537176  1
  H  H217  1  0.489836  0.423060  0.559701  1
  H  H218  1  0.498545  0.066655  0.575115  1
  H  H219  1  0.647765  0.113004  0.544359  1
  H  H220  1  0.823169  0.089726  0.559701  1
  H  H221  1  0.481099  0.779670  0.544359  1
  H  H222  1  0.656503  0.756393  0.559701  1
  H  H223  1  0.665212  0.399989  0.575115  1
  H  H224  1  0.814432  0.446337  0.544359  1
  H  H225  1  0.989836  0.423060  0.559701  1
  H  H226  1  0.998545  0.066655  0.575115  1
  H  H227  1  0.147765  0.113004  0.544359  1
  H  H228  1  0.323169  0.089726  0.559701  1
  H  H229  1  0.831878  0.733322  0.575115  1
  H  H230  1  0.981099  0.779670  0.544359  1
  H  H231  1  0.156503  0.756393  0.559701  1
  H  H232  1  0.165212  0.399989  0.575115  1
  H  H233  1  0.314432  0.446337  0.544359  1
  H  H234  1  0.331878  0.733322  0.575115  1
  H  H235  1  0.443330  0.243936  0.567922  1
  H  H236  1  0.452050  0.887518  0.583280  1
  H  H237  1  0.601307  0.933886  0.552524  1
  H  H238  1  0.776663  0.910603  0.567922  1
  H  H239  1  0.434640  0.600553  0.552524  1
  H  H240  1  0.609997  0.577270  0.567922  1
  H  H241  1  0.618717  0.220852  0.583280  1
  H  H242  1  0.767973  0.267219  0.552524  1
  H  H243  1  0.943330  0.243936  0.567922  1
  H  H244  1  0.952050  0.887518  0.583280  1
  H  H245  1  0.101307  0.933886  0.552524  1
  H  H246  1  0.276663  0.910603  0.567922  1
  H  H247  1  0.785383  0.554185  0.583280  1
  H  H248  1  0.934640  0.600553  0.552524  1
  H  H249  1  0.109997  0.577270  0.567922  1
  H  H250  1  0.118717  0.220852  0.583280  1
  H  H251  1  0.267973  0.267219  0.552524  1
  H  H252  1  0.285383  0.554185  0.583280  1
  H  H253  1  0.516078  0.353407  0.605738  1
  H  H254  1  0.524674  0.997187  0.621224  1
  H  H255  1  0.673904  0.043511  0.590407  1
  H  H256  1  0.849411  0.020074  0.605738  1
  H  H257  1  0.507238  0.710178  0.590407  1
  H  H258  1  0.682744  0.686741  0.605738  1
  H  H259  1  0.691341  0.330520  0.621224  1
  H  H260  1  0.840571  0.376845  0.590407  1
  H  H261  1  0.016078  0.353407  0.605738  1
  H  H262  1  0.024674  0.997187  0.621224  1
  H  H263  1  0.173904  0.043511  0.590407  1
  H  H264  1  0.349411  0.020074  0.605738  1
  H  H265  1  0.858008  0.663854  0.621224  1
  H  H266  1  0.007238  0.710178  0.590407  1
  H  H267  1  0.182744  0.686741  0.605738  1
  H  H268  1  0.191341  0.330520  0.621224  1
  H  H269  1  0.340571  0.376845  0.590407  1
  H  H270  1  0.358008  0.663854  0.621224  1
  H  H271  1  0.469408  0.174364  0.614098  1
  H  H272  1  0.478461  0.818240  0.629357  1
  H  H273  1  0.627423  0.864175  0.598573  1
  H  H274  1  0.802741  0.841030  0.614098  1
  H  H275  1  0.460757  0.530842  0.598573  1
  H  H276  1  0.636075  0.507697  0.614098  1
  H  H277  1  0.645128  0.151573  0.629357  1
  H  H278  1  0.794090  0.197509  0.598573  1
  H  H279  1  0.969408  0.174364  0.614098  1
  H  H280  1  0.978461  0.818240  0.629357  1
  H  H281  1  0.127423  0.864175  0.598573  1
  H  H282  1  0.302741  0.841030  0.614098  1
  H  H283  1  0.811795  0.484906  0.629357  1
  H  H284  1  0.960757  0.530842  0.598573  1
  H  H285  1  0.136075  0.507697  0.614098  1
  H  H286  1  0.145128  0.151573  0.629357  1
  H  H287  1  0.294090  0.197509  0.598573  1
  H  H288  1  0.311795  0.484906  0.629357  1
  H  H289  1  0.542164  0.284688  0.651765  1
  H  H290  1  0.548791  0.927522  0.667410  1
  H  H291  1  0.699430  0.974152  0.636187  1
  H  H292  1  0.875497  0.951355  0.651765  1
  H  H293  1  0.532763  0.640818  0.636187  1
  H  H294  1  0.708831  0.618021  0.651765  1
  H  H295  1  0.715458  0.260855  0.667410  1
  H  H296  1  0.866096  0.307485  0.636187  1
  H  H297  1  0.042164  0.284688  0.651765  1
  H  H298  1  0.048791  0.927522  0.667410  1
  H  H299  1  0.199430  0.974152  0.636187  1
  H  H300  1  0.375497  0.951355  0.651765  1
  H  H301  1  0.882125  0.594188  0.667410  1
  H  H302  1  0.032763  0.640818  0.636187  1
  H  H303  1  0.208831  0.618021  0.651765  1
  H  H304  1  0.215458  0.260855  0.667410  1
  H  H305  1  0.366096  0.307485  0.636187  1
  H  H306  1  0.382125  0.594188  0.667410  1
  H  H307  1  0.497718  0.105304  0.660100  1
  H  H308  1  0.505350  0.747986  0.675509  1
  H  H309  1  0.653390  0.794199  0.644556  1
  H  H310  1  0.831051  0.771971  0.660100  1
  H  H311  1  0.486723  0.460866  0.644556  1
  H  H312  1  0.664385  0.438638  0.660100  1
  H  H313  1  0.672017  0.081319  0.675509  1
  H  H314  1  0.820056  0.127532  0.644556  1
  H  H315  1  0.997718  0.105304  0.660100  1
  H  H316  1  0.005350  0.747986  0.675509  1
  H  H317  1  0.153390  0.794199  0.644556  1
  H  H318  1  0.331051  0.771971  0.660100  1
  H  H319  1  0.838683  0.414653  0.675509  1
  H  H320  1  0.986723  0.460866  0.644556  1
  H  H321  1  0.164385  0.438638  0.660100  1
  H  H322  1  0.172017  0.081319  0.675509  1
  H  H323  1  0.320056  0.127532  0.644556  1
  H  H324  1  0.338683  0.414653  0.675509  1
  H  H325  1  0.563405  0.216860  0.699597  1
  H  H326  1  0.578389  0.853893  0.713526  1
  H  H327  1  0.725429  0.904610  0.681026  1
  H  H328  1  0.896738  0.883526  0.699597  1
  H  H329  1  0.558762  0.571277  0.681026  1
  H  H330  1  0.730071  0.550193  0.699597  1
  H  H331  1  0.745055  0.187226  0.713526  1
  H  H332  1  0.892096  0.237943  0.681026  1
  H  H333  1  0.063405  0.216860  0.699597  1
  H  H334  1  0.078389  0.853893  0.713526  1
  H  H335  1  0.225429  0.904610  0.681026  1
  H  H336  1  0.396738  0.883526  0.699597  1
  H  H337  1  0.911722  0.520560  0.713526  1
  H  H338  1  0.058762  0.571277  0.681026  1
  H  H339  1  0.230071  0.550193  0.699597  1
  H  H340  1  0.245055  0.187226  0.713526  1
  H  H341  1  0.392096  0.237943  0.681026  1
  H  H342  1  0.411722  0.520560  0.713526  1
  H  H343  1  0.526915  0.035610  0.707483  1
  H  H344  1  0.544409  0.666227  0.721952  1
  H  H345  1  0.684711  0.727328  0.690744  1
  H  H346  1  0.860248  0.702276  0.707483  1
  H  H347  1  0.518044  0.393994  0.690744  1
  H  H348  1  0.693582  0.368943  0.707483  1
  H  H349  1  0.711076  0.999560  0.721952  1
  H  H350  1  0.851378  0.060661  0.690744  1
  H  H351  1  0.026915  0.035610  0.707483  1
  H  H352  1  0.044409  0.666227  0.721952  1
  H  H353  1  0.184711  0.727328  0.690744  1
  H  H354  1  0.360248  0.702276  0.707483  1
  H  H355  1  0.877743  0.332893  0.721952  1
  H  H356  1  0.018044  0.393994  0.690744  1
  H  H357  1  0.193582  0.368943  0.707483  1
  H  H358  1  0.211076  0.999560  0.721952  1
  H  H359  1  0.351378  0.060661  0.690744  1
  H  H360  1  0.377743  0.332893  0.721952  1
