# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.38830736
_cell_length_b   6.54186914
_cell_length_c   45.38114664
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.59207502
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H264
_cell_volume   4443.68386207
_cell_formula_units_Z   132
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  0.408295  0.713903  0.285242  1
  H  H2  1  0.238945  0.670443  0.275038  1
  H  H3  1  0.074962  0.713903  0.285242  1
  H  H4  1  0.910978  0.757364  0.295446  1
  H  H5  1  0.908295  0.213903  0.285242  1
  H  H6  1  0.741628  0.713903  0.285242  1
  H  H7  1  0.744311  0.257364  0.295446  1
  H  H8  1  0.577645  0.757364  0.295446  1
  H  H9  1  0.574962  0.213903  0.285242  1
  H  H10  1  0.410978  0.257364  0.295446  1
  H  H11  1  0.241628  0.213903  0.285242  1
  H  H12  1  0.072278  0.170443  0.275038  1
  H  H13  1  0.413123  0.792104  0.303603  1
  H  H14  1  0.243773  0.748643  0.293399  1
  H  H15  1  0.079789  0.792104  0.303603  1
  H  H16  1  0.915806  0.835564  0.313807  1
  H  H17  1  0.913123  0.292104  0.303603  1
  H  H18  1  0.746456  0.792104  0.303603  1
  H  H19  1  0.749139  0.335564  0.313807  1
  H  H20  1  0.582473  0.835564  0.313807  1
  H  H21  1  0.579789  0.292104  0.303603  1
  H  H22  1  0.415806  0.335564  0.313807  1
  H  H23  1  0.246456  0.292104  0.303603  1
  H  H24  1  0.077106  0.248643  0.293399  1
  H  H25  1  0.418835  0.884631  0.325327  1
  H  H26  1  0.249485  0.841170  0.315123  1
  H  H27  1  0.085502  0.884631  0.325327  1
  H  H28  1  0.921518  0.928091  0.335532  1
  H  H29  1  0.918835  0.384631  0.325327  1
  H  H30  1  0.752168  0.884631  0.325327  1
  H  H31  1  0.754852  0.428091  0.335532  1
  H  H32  1  0.588185  0.928091  0.335532  1
  H  H33  1  0.585502  0.384631  0.325327  1
  H  H34  1  0.421518  0.428091  0.335532  1
  H  H35  1  0.252168  0.384631  0.325327  1
  H  H36  1  0.082819  0.341170  0.315123  1
  H  H37  1  0.424073  0.969476  0.345248  1
  H  H38  1  0.254723  0.926016  0.335044  1
  H  H39  1  0.090740  0.969476  0.345248  1
  H  H40  1  0.926756  0.012936  0.355452  1
  H  H41  1  0.924073  0.469476  0.345248  1
  H  H42  1  0.757407  0.969476  0.345248  1
  H  H43  1  0.760090  0.512936  0.355452  1
  H  H44  1  0.593423  0.012936  0.355452  1
  H  H45  1  0.590740  0.469476  0.345248  1
  H  H46  1  0.426756  0.512936  0.355452  1
  H  H47  1  0.257407  0.469476  0.345248  1
  H  H48  1  0.088057  0.426016  0.335044  1
  H  H49  1  0.429507  0.057485  0.365912  1
  H  H50  1  0.260157  0.014025  0.355708  1
  H  H51  1  0.096173  0.057485  0.365912  1
  H  H52  1  0.932190  0.100946  0.376116  1
  H  H53  1  0.929507  0.557485  0.365912  1
  H  H54  1  0.762840  0.057485  0.365912  1
  H  H55  1  0.765523  0.600946  0.376116  1
  H  H56  1  0.598856  0.100946  0.376116  1
  H  H57  1  0.596173  0.557485  0.365912  1
  H  H58  1  0.432190  0.600946  0.376116  1
  H  H59  1  0.262840  0.557485  0.365912  1
  H  H60  1  0.093490  0.514025  0.355708  1
  H  H61  1  0.434846  0.143971  0.386218  1
  H  H62  1  0.265496  0.100510  0.376014  1
  H  H63  1  0.101513  0.143971  0.386218  1
  H  H64  1  0.937529  0.187431  0.396422  1
  H  H65  1  0.934846  0.643971  0.386218  1
  H  H66  1  0.768179  0.143971  0.386218  1
  H  H67  1  0.770863  0.687431  0.396422  1
  H  H68  1  0.604196  0.187431  0.396422  1
  H  H69  1  0.601513  0.643971  0.386218  1
  H  H70  1  0.437529  0.687431  0.396422  1
  H  H71  1  0.268179  0.643971  0.386218  1
  H  H72  1  0.098830  0.600510  0.376014  1
  H  H73  1  0.440228  0.231149  0.406686  1
  H  H74  1  0.270878  0.187688  0.396482  1
  H  H75  1  0.106895  0.231149  0.406686  1
  H  H76  1  0.942911  0.274609  0.416890  1
  H  H77  1  0.940228  0.731149  0.406686  1
  H  H78  1  0.773562  0.231149  0.406686  1
  H  H79  1  0.776245  0.774609  0.416890  1
  H  H80  1  0.609578  0.274609  0.416890  1
  H  H81  1  0.606895  0.731149  0.406686  1
  H  H82  1  0.442911  0.774609  0.416890  1
  H  H83  1  0.273562  0.731149  0.406686  1
  H  H84  1  0.104212  0.687688  0.396482  1
  H  H85  1  0.445590  0.318002  0.427079  1
  H  H86  1  0.276241  0.274541  0.416875  1
  H  H87  1  0.112257  0.318002  0.427079  1
  H  H88  1  0.948273  0.361462  0.437283  1
  H  H89  1  0.945590  0.818002  0.427079  1
  H  H90  1  0.778924  0.318002  0.427079  1
  H  H91  1  0.781607  0.861462  0.437283  1
  H  H92  1  0.614940  0.361462  0.437283  1
  H  H93  1  0.612257  0.818002  0.427079  1
  H  H94  1  0.448273  0.861462  0.437283  1
  H  H95  1  0.278924  0.818002  0.427079  1
  H  H96  1  0.109574  0.774541  0.416875  1
  H  H97  1  0.450962  0.405006  0.447506  1
  H  H98  1  0.281612  0.361545  0.437302  1
  H  H99  1  0.117628  0.405006  0.447506  1
  H  H100  1  0.953645  0.448466  0.457710  1
  H  H101  1  0.950962  0.905006  0.447506  1
  H  H102  1  0.784295  0.405006  0.447506  1
  H  H103  1  0.786978  0.948466  0.457710  1
  H  H104  1  0.620311  0.448466  0.457710  1
  H  H105  1  0.617628  0.905006  0.447506  1
  H  H106  1  0.453645  0.948466  0.457710  1
  H  H107  1  0.284295  0.905006  0.447506  1
  H  H108  1  0.114945  0.861545  0.437302  1
  H  H109  1  0.456329  0.491938  0.467917  1
  H  H110  1  0.286979  0.448478  0.457713  1
  H  H111  1  0.122995  0.491938  0.467917  1
  H  H112  1  0.959012  0.535399  0.478121  1
  H  H113  1  0.956329  0.991938  0.467917  1
  H  H114  1  0.789662  0.491938  0.467917  1
  H  H115  1  0.792345  0.035399  0.478121  1
  H  H116  1  0.625678  0.535399  0.478121  1
  H  H117  1  0.622995  0.991938  0.467917  1
  H  H118  1  0.459012  0.035399  0.478121  1
  H  H119  1  0.289662  0.991938  0.467917  1
  H  H120  1  0.120312  0.948478  0.457713  1
  H  H121  1  0.461698  0.578906  0.488336  1
  H  H122  1  0.292348  0.535446  0.478132  1
  H  H123  1  0.128365  0.578906  0.488336  1
  H  H124  1  0.964381  0.622367  0.498541  1
  H  H125  1  0.961698  0.078906  0.488336  1
  H  H126  1  0.795031  0.578906  0.488336  1
  H  H127  1  0.797714  0.122367  0.498541  1
  H  H128  1  0.631048  0.622367  0.498541  1
  H  H129  1  0.628365  0.078906  0.488336  1
  H  H130  1  0.464381  0.122367  0.498541  1
  H  H131  1  0.295031  0.078906  0.488336  1
  H  H132  1  0.125681  0.035446  0.478132  1
  H  H133  1  0.467066  0.665853  0.508751  1
  H  H134  1  0.297716  0.622392  0.498546  1
  H  H135  1  0.133732  0.665853  0.508751  1
  H  H136  1  0.969749  0.709313  0.518955  1
  H  H137  1  0.967066  0.165853  0.508751  1
  H  H138  1  0.800399  0.665853  0.508751  1
  H  H139  1  0.803082  0.209313  0.518955  1
  H  H140  1  0.636415  0.709313  0.518955  1
  H  H141  1  0.633732  0.165853  0.508751  1
  H  H142  1  0.469749  0.209313  0.518955  1
  H  H143  1  0.300399  0.165853  0.508751  1
  H  H144  1  0.131049  0.122392  0.498546  1
  H  H145  1  0.472435  0.752821  0.529170  1
  H  H146  1  0.303085  0.709360  0.518966  1
  H  H147  1  0.139102  0.752821  0.529170  1
  H  H148  1  0.975118  0.796281  0.539374  1
  H  H149  1  0.972435  0.252821  0.529170  1
  H  H150  1  0.805768  0.752821  0.529170  1
  H  H151  1  0.808451  0.296281  0.539374  1
  H  H152  1  0.641785  0.796281  0.539374  1
  H  H153  1  0.639102  0.252821  0.529170  1
  H  H154  1  0.475118  0.296281  0.539374  1
  H  H155  1  0.305768  0.252821  0.529170  1
  H  H156  1  0.136418  0.209360  0.518966  1
  H  H157  1  0.477802  0.839753  0.549581  1
  H  H158  1  0.308452  0.796293  0.539377  1
  H  H159  1  0.144469  0.839753  0.549581  1
  H  H160  1  0.980485  0.883214  0.559785  1
  H  H161  1  0.977802  0.339753  0.549581  1
  H  H162  1  0.811135  0.839753  0.549581  1
  H  H163  1  0.813818  0.383214  0.559785  1
  H  H164  1  0.647152  0.883214  0.559785  1
  H  H165  1  0.644469  0.339753  0.549581  1
  H  H166  1  0.480485  0.383214  0.559785  1
  H  H167  1  0.311135  0.339753  0.549581  1
  H  H168  1  0.141785  0.296293  0.539377  1
  H  H169  1  0.483173  0.926757  0.570008  1
  H  H170  1  0.313823  0.883297  0.559804  1
  H  H171  1  0.149840  0.926757  0.570008  1
  H  H172  1  0.985856  0.970217  0.580212  1
  H  H173  1  0.983173  0.426757  0.570008  1
  H  H174  1  0.816507  0.926757  0.570008  1
  H  H175  1  0.819190  0.470217  0.580212  1
  H  H176  1  0.652523  0.970217  0.580212  1
  H  H177  1  0.649840  0.426757  0.570008  1
  H  H178  1  0.485856  0.470217  0.580212  1
  H  H179  1  0.316507  0.426757  0.570008  1
  H  H180  1  0.147157  0.383297  0.559804  1
  H  H181  1  0.488535  0.013610  0.590401  1
  H  H182  1  0.319186  0.970150  0.580197  1
  H  H183  1  0.155202  0.013610  0.590401  1
  H  H184  1  0.991218  0.057071  0.600605  1
  H  H185  1  0.988535  0.513610  0.590401  1
  H  H186  1  0.821869  0.013610  0.590401  1
  H  H187  1  0.824552  0.557071  0.600605  1
  H  H188  1  0.657885  0.057071  0.600605  1
  H  H189  1  0.655202  0.513610  0.590401  1
  H  H190  1  0.491218  0.557071  0.600605  1
  H  H191  1  0.321869  0.513610  0.590401  1
  H  H192  1  0.152519  0.470150  0.580197  1
  H  H193  1  0.493917  0.100788  0.610869  1
  H  H194  1  0.324568  0.057328  0.600665  1
  H  H195  1  0.160584  0.100788  0.610869  1
  H  H196  1  0.996601  0.144249  0.621073  1
  H  H197  1  0.993917  0.600788  0.610869  1
  H  H198  1  0.827251  0.100788  0.610869  1
  H  H199  1  0.829934  0.644249  0.621073  1
  H  H200  1  0.663267  0.144249  0.621073  1
  H  H201  1  0.660584  0.600788  0.610869  1
  H  H202  1  0.496601  0.644249  0.621073  1
  H  H203  1  0.327251  0.600788  0.610869  1
  H  H204  1  0.157901  0.557328  0.600665  1
  H  H205  1  0.499257  0.187274  0.631175  1
  H  H206  1  0.329907  0.143813  0.620971  1
  H  H207  1  0.165924  0.187274  0.631175  1
  H  H208  1  0.001940  0.230734  0.641379  1
  H  H209  1  0.999257  0.687274  0.631175  1
  H  H210  1  0.832590  0.187274  0.631175  1
  H  H211  1  0.835273  0.730734  0.641379  1
  H  H212  1  0.668607  0.230734  0.641379  1
  H  H213  1  0.665924  0.687274  0.631175  1
  H  H214  1  0.501940  0.730734  0.641379  1
  H  H215  1  0.332590  0.687274  0.631175  1
  H  H216  1  0.163240  0.643813  0.620971  1
  H  H217  1  0.504690  0.275283  0.651839  1
  H  H218  1  0.335341  0.231822  0.641635  1
  H  H219  1  0.171357  0.275283  0.651839  1
  H  H220  1  0.007373  0.318743  0.662043  1
  H  H221  1  0.004690  0.775283  0.651839  1
  H  H222  1  0.838024  0.275283  0.651839  1
  H  H223  1  0.840707  0.818743  0.662043  1
  H  H224  1  0.674040  0.318743  0.662043  1
  H  H225  1  0.671357  0.775283  0.651839  1
  H  H226  1  0.507373  0.818743  0.662043  1
  H  H227  1  0.338024  0.775283  0.651839  1
  H  H228  1  0.168674  0.731822  0.641635  1
  H  H229  1  0.509928  0.360128  0.671760  1
  H  H230  1  0.340579  0.316668  0.661555  1
  H  H231  1  0.176595  0.360128  0.671760  1
  H  H232  1  0.012612  0.403589  0.681964  1
  H  H233  1  0.009928  0.860128  0.671760  1
  H  H234  1  0.843262  0.360128  0.671760  1
  H  H235  1  0.845945  0.903589  0.681964  1
  H  H236  1  0.679278  0.403589  0.681964  1
  H  H237  1  0.676595  0.860128  0.671760  1
  H  H238  1  0.512612  0.903589  0.681964  1
  H  H239  1  0.343262  0.860128  0.671760  1
  H  H240  1  0.173912  0.816668  0.661555  1
  H  H241  1  0.515641  0.452655  0.693484  1
  H  H242  1  0.346291  0.409195  0.683280  1
  H  H243  1  0.182307  0.452655  0.693484  1
  H  H244  1  0.018324  0.496115  0.703688  1
  H  H245  1  0.015641  0.952655  0.693484  1
  H  H246  1  0.848974  0.452655  0.693484  1
  H  H247  1  0.851657  0.996115  0.703688  1
  H  H248  1  0.684991  0.496115  0.703688  1
  H  H249  1  0.682307  0.952655  0.693484  1
  H  H250  1  0.518324  0.996115  0.703688  1
  H  H251  1  0.348974  0.952655  0.693484  1
  H  H252  1  0.179624  0.909195  0.683280  1
  H  H253  1  0.520469  0.530856  0.711845  1
  H  H254  1  0.351119  0.487395  0.701641  1
  H  H255  1  0.187135  0.530856  0.711845  1
  H  H256  1  0.023152  0.574316  0.722049  1
  H  H257  1  0.020469  0.030856  0.711845  1
  H  H258  1  0.853802  0.530856  0.711845  1
  H  H259  1  0.856485  0.074316  0.722049  1
  H  H260  1  0.689819  0.574316  0.722049  1
  H  H261  1  0.687135  0.030856  0.711845  1
  H  H262  1  0.523152  0.074316  0.722049  1
  H  H263  1  0.353802  0.030856  0.711845  1
  H  H264  1  0.184452  0.987395  0.701641  1
