# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56493844
_cell_length_b   10.68666935
_cell_length_c   46.91285961
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.75650264
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H252
_cell_volume   4218.51693785
_cell_formula_units_Z   126
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  0.054881  0.298710  0.309954  1
  H  H2  1  0.814168  0.438219  0.278347  1
  H  H3  1  0.887822  0.395531  0.288018  1
  H  H4  1  0.814168  0.104886  0.278347  1
  H  H5  1  0.974969  0.345024  0.299461  1
  H  H6  1  0.887822  0.062198  0.288018  1
  H  H7  1  0.396059  0.390758  0.289100  1
  H  H8  1  0.314168  0.104886  0.278347  1
  H  H9  1  0.469713  0.348070  0.298771  1
  H  H10  1  0.387822  0.062198  0.288018  1
  H  H11  1  0.314168  0.771552  0.278347  1
  H  H12  1  0.474969  0.011691  0.299461  1
  H  H13  1  0.387822  0.728865  0.288018  1
  H  H14  1  0.474969  0.678357  0.299461  1
  H  H15  1  0.814168  0.771552  0.278347  1
  H  H16  1  0.974969  0.011691  0.299461  1
  H  H17  1  0.887822  0.728865  0.288018  1
  H  H18  1  0.974969  0.678357  0.299461  1
  H  H19  1  0.801120  0.155997  0.342286  1
  H  H20  1  0.556860  0.297563  0.310214  1
  H  H21  1  0.636772  0.251248  0.320706  1
  H  H22  1  0.554881  0.965376  0.309954  1
  H  H23  1  0.719664  0.203207  0.331591  1
  H  H24  1  0.637773  0.917335  0.320838  1
  H  H25  1  0.137773  0.250668  0.320838  1
  H  H26  1  0.054881  0.965376  0.309954  1
  H  H27  1  0.219229  0.203459  0.331533  1
  H  H28  1  0.137773  0.917335  0.320838  1
  H  H29  1  0.054881  0.632043  0.309954  1
  H  H30  1  0.219229  0.870125  0.331533  1
  H  H31  1  0.137773  0.584002  0.320838  1
  H  H32  1  0.219229  0.536792  0.331533  1
  H  H33  1  0.554881  0.632043  0.309954  1
  H  H34  1  0.719229  0.870125  0.331533  1
  H  H35  1  0.637773  0.584002  0.320838  1
  H  H36  1  0.719229  0.536792  0.331533  1
  H  H37  1  0.546964  0.013514  0.374567  1
  H  H38  1  0.301338  0.155871  0.342315  1
  H  H39  1  0.383141  0.108461  0.353056  1
  H  H40  1  0.301338  0.822538  0.342315  1
  H  H41  1  0.465085  0.060968  0.363816  1
  H  H42  1  0.383141  0.775127  0.353056  1
  H  H43  1  0.883229  0.108410  0.353067  1
  H  H44  1  0.801338  0.822538  0.342315  1
  H  H45  1  0.965032  0.060999  0.363809  1
  H  H46  1  0.883141  0.775127  0.353056  1
  H  H47  1  0.801338  0.489205  0.342315  1
  H  H48  1  0.965085  0.727635  0.363816  1
  H  H49  1  0.883141  0.441794  0.353056  1
  H  H50  1  0.965085  0.394302  0.363816  1
  H  H51  1  0.301338  0.489205  0.342315  1
  H  H52  1  0.465085  0.727635  0.363816  1
  H  H53  1  0.383141  0.441794  0.353056  1
  H  H54  1  0.465085  0.394302  0.363816  1
  H  H55  1  0.292660  0.871117  0.406828  1
  H  H56  1  0.046977  0.013507  0.374568  1
  H  H57  1  0.128855  0.966053  0.385319  1
  H  H58  1  0.046964  0.680181  0.374567  1
  H  H59  1  0.210764  0.918581  0.396074  1
  H  H60  1  0.128873  0.632709  0.385322  1
  H  H61  1  0.628873  0.966042  0.385322  1
  H  H62  1  0.546964  0.680181  0.374567  1
  H  H63  1  0.710768  0.918579  0.396075  1
  H  H64  1  0.628873  0.632709  0.385322  1
  H  H65  1  0.546964  0.346847  0.374567  1
  H  H66  1  0.710768  0.585245  0.396075  1
  H  H67  1  0.628873  0.299376  0.385322  1
  H  H68  1  0.710768  0.251912  0.396075  1
  H  H69  1  0.046964  0.346847  0.374567  1
  H  H70  1  0.210768  0.585245  0.396075  1
  H  H71  1  0.128873  0.299376  0.385322  1
  H  H72  1  0.210768  0.251912  0.396075  1
  H  H73  1  0.038368  0.728713  0.439090  1
  H  H74  1  0.792670  0.871111  0.406829  1
  H  H75  1  0.874569  0.823645  0.417583  1
  H  H76  1  0.792670  0.537778  0.406829  1
  H  H77  1  0.956469  0.776179  0.428336  1
  H  H78  1  0.874569  0.490312  0.417583  1
  H  H79  1  0.374561  0.823650  0.417582  1
  H  H80  1  0.292670  0.537778  0.406829  1
  H  H81  1  0.456460  0.776184  0.428335  1
  H  H82  1  0.374569  0.490312  0.417583  1
  H  H83  1  0.292670  0.204444  0.406829  1
  H  H84  1  0.456469  0.442845  0.428336  1
  H  H85  1  0.374569  0.156979  0.417583  1
  H  H86  1  0.456469  0.109512  0.428336  1
  H  H87  1  0.792670  0.204444  0.406829  1
  H  H88  1  0.956469  0.442845  0.428336  1
  H  H89  1  0.874569  0.156979  0.417583  1
  H  H90  1  0.956469  0.109512  0.428336  1
  H  H91  1  0.784058  0.586318  0.471351  1
  H  H92  1  0.538360  0.728717  0.439089  1
  H  H93  1  0.620259  0.681251  0.449843  1
  H  H94  1  0.538368  0.395379  0.439090  1
  H  H95  1  0.702159  0.633785  0.460597  1
  H  H96  1  0.620268  0.347913  0.449844  1
  H  H97  1  0.120268  0.681246  0.449844  1
  H  H98  1  0.038368  0.395379  0.439090  1
  H  H99  1  0.202167  0.633780  0.460598  1
  H  H100  1  0.120268  0.347913  0.449844  1
  H  H101  1  0.038368  0.062046  0.439090  1
  H  H102  1  0.202167  0.300447  0.460598  1
  H  H103  1  0.120268  0.014579  0.449844  1
  H  H104  1  0.202167  0.967113  0.460598  1
  H  H105  1  0.538368  0.062046  0.439090  1
  H  H106  1  0.702167  0.300447  0.460598  1
  H  H107  1  0.620268  0.014579  0.449844  1
  H  H108  1  0.702167  0.967113  0.460598  1
  H  H109  1  0.529765  0.443915  0.503613  1
  H  H110  1  0.284067  0.586314  0.471352  1
  H  H111  1  0.365966  0.538847  0.482105  1
  H  H112  1  0.284067  0.252980  0.471352  1
  H  H113  1  0.447866  0.491381  0.492859  1
  H  H114  1  0.365966  0.205514  0.482105  1
  H  H115  1  0.865958  0.538852  0.482104  1
  H  H116  1  0.784067  0.252980  0.471352  1
  H  H117  1  0.947857  0.491386  0.492858  1
  H  H118  1  0.865966  0.205514  0.482105  1
  H  H119  1  0.784067  0.919647  0.471352  1
  H  H120  1  0.947866  0.158048  0.492859  1
  H  H121  1  0.865966  0.872181  0.482105  1
  H  H122  1  0.947866  0.824714  0.492859  1
  H  H123  1  0.284067  0.919647  0.471352  1
  H  H124  1  0.447866  0.158048  0.492859  1
  H  H125  1  0.365966  0.872181  0.482105  1
  H  H126  1  0.447866  0.824714  0.492859  1
  H  H127  1  0.275455  0.301521  0.535873  1
  H  H128  1  0.029757  0.443920  0.503612  1
  H  H129  1  0.111656  0.396453  0.514366  1
  H  H130  1  0.029765  0.110581  0.503613  1
  H  H131  1  0.193556  0.348987  0.525119  1
  H  H132  1  0.111665  0.063115  0.514367  1
  H  H133  1  0.611665  0.396448  0.514367  1
  H  H134  1  0.529765  0.110581  0.503613  1
  H  H135  1  0.693564  0.348982  0.525121  1
  H  H136  1  0.611665  0.063115  0.514367  1
  H  H137  1  0.529765  0.777248  0.503613  1
  H  H138  1  0.693564  0.015649  0.525121  1
  H  H139  1  0.611665  0.729782  0.514367  1
  H  H140  1  0.693564  0.682315  0.525121  1
  H  H141  1  0.029765  0.777248  0.503613  1
  H  H142  1  0.193564  0.015649  0.525121  1
  H  H143  1  0.111665  0.729782  0.514367  1
  H  H144  1  0.193564  0.682315  0.525121  1
  H  H145  1  0.021162  0.159117  0.568136  1
  H  H146  1  0.775464  0.301516  0.535874  1
  H  H147  1  0.857363  0.254049  0.546628  1
  H  H148  1  0.775464  0.968182  0.535874  1
  H  H149  1  0.939263  0.206583  0.557382  1
  H  H150  1  0.857363  0.920716  0.546628  1
  H  H151  1  0.357355  0.254054  0.546627  1
  H  H152  1  0.275464  0.968182  0.535874  1
  H  H153  1  0.439254  0.206588  0.557381  1
  H  H154  1  0.357363  0.920716  0.546628  1
  H  H155  1  0.275464  0.634849  0.535874  1
  H  H156  1  0.439263  0.873250  0.557382  1
  H  H157  1  0.357363  0.587383  0.546628  1
  H  H158  1  0.439263  0.539916  0.557382  1
  H  H159  1  0.775464  0.634849  0.535874  1
  H  H160  1  0.939263  0.873250  0.557382  1
  H  H161  1  0.857363  0.587383  0.546628  1
  H  H162  1  0.939263  0.539916  0.557382  1
  H  H163  1  0.766852  0.016723  0.600396  1
  H  H164  1  0.521154  0.159122  0.568135  1
  H  H165  1  0.603053  0.111655  0.578888  1
  H  H166  1  0.521162  0.825784  0.568136  1
  H  H167  1  0.684953  0.064189  0.589642  1
  H  H168  1  0.603062  0.778317  0.578890  1
  H  H169  1  0.103062  0.111650  0.578890  1
  H  H170  1  0.021162  0.825784  0.568136  1
  H  H171  1  0.184961  0.064185  0.589643  1
  H  H172  1  0.103062  0.778317  0.578890  1
  H  H173  1  0.021162  0.492450  0.568136  1
  H  H174  1  0.184961  0.730851  0.589643  1
  H  H175  1  0.103062  0.444984  0.578890  1
  H  H176  1  0.184961  0.397518  0.589643  1
  H  H177  1  0.521162  0.492450  0.568136  1
  H  H178  1  0.684961  0.730851  0.589643  1
  H  H179  1  0.603062  0.444984  0.578890  1
  H  H180  1  0.684961  0.397518  0.589643  1
  H  H181  1  0.512545  0.874327  0.632657  1
  H  H182  1  0.266862  0.016717  0.600397  1
  H  H183  1  0.348757  0.969253  0.611151  1
  H  H184  1  0.266862  0.683384  0.600397  1
  H  H185  1  0.430667  0.921781  0.621906  1
  H  H186  1  0.348757  0.635920  0.611151  1
  H  H187  1  0.848754  0.969256  0.611150  1
  H  H188  1  0.766862  0.683384  0.600397  1
  H  H189  1  0.930649  0.921792  0.621903  1
  H  H190  1  0.848757  0.635920  0.611151  1
  H  H191  1  0.766862  0.350050  0.600397  1
  H  H192  1  0.930667  0.588448  0.621906  1
  H  H193  1  0.848757  0.302587  0.611151  1
  H  H194  1  0.930667  0.255115  0.621906  1
  H  H195  1  0.266862  0.350050  0.600397  1
  H  H196  1  0.430667  0.588448  0.621906  1
  H  H197  1  0.348757  0.302587  0.611151  1
  H  H198  1  0.430667  0.255115  0.621906  1
  H  H199  1  0.258184  0.731963  0.664910  1
  H  H200  1  0.012558  0.874320  0.632658  1
  H  H201  1  0.094437  0.826866  0.643409  1
  H  H202  1  0.012545  0.540994  0.632657  1
  H  H203  1  0.176381  0.779373  0.654169  1
  H  H204  1  0.094490  0.493502  0.643416  1
  H  H205  1  0.594490  0.826835  0.643416  1
  H  H206  1  0.512545  0.540994  0.632657  1
  H  H207  1  0.676293  0.779424  0.654157  1
  H  H208  1  0.594490  0.493502  0.643416  1
  H  H209  1  0.512545  0.207661  0.632657  1
  H  H210  1  0.676293  0.446091  0.654157  1
  H  H211  1  0.594490  0.160168  0.643416  1
  H  H212  1  0.676293  0.112758  0.654157  1
  H  H213  1  0.012545  0.207661  0.632657  1
  H  H214  1  0.176293  0.446091  0.654157  1
  H  H215  1  0.094490  0.160168  0.643416  1
  H  H216  1  0.176293  0.112758  0.654157  1
  H  H217  1  0.002662  0.590272  0.697011  1
  H  H218  1  0.758402  0.731837  0.664939  1
  H  H219  1  0.839858  0.684627  0.675634  1
  H  H220  1  0.758402  0.398503  0.664939  1
  H  H221  1  0.922750  0.636586  0.686518  1
  H  H222  1  0.839858  0.351294  0.675634  1
  H  H223  1  0.340293  0.684375  0.675691  1
  H  H224  1  0.258402  0.398503  0.664939  1
  H  H225  1  0.421749  0.637166  0.686387  1
  H  H226  1  0.339858  0.351294  0.675634  1
  H  H227  1  0.258402  0.065170  0.664939  1
  H  H228  1  0.422750  0.303253  0.686518  1
  H  H229  1  0.339858  0.017961  0.675634  1
  H  H230  1  0.422750  0.969919  0.686518  1
  H  H231  1  0.758402  0.065170  0.664939  1
  H  H232  1  0.922750  0.303253  0.686518  1
  H  H233  1  0.839858  0.017961  0.675634  1
  H  H234  1  0.922750  0.969919  0.686518  1
  H  H235  1  0.745354  0.449615  0.728878  1
  H  H236  1  0.504641  0.589124  0.697271  1
  H  H237  1  0.584553  0.542810  0.707764  1
  H  H238  1  0.502662  0.256938  0.697011  1
  H  H239  1  0.671700  0.492303  0.719207  1
  H  H240  1  0.589809  0.206431  0.708454  1
  H  H241  1  0.089809  0.539764  0.708454  1
  H  H242  1  0.002662  0.256938  0.697011  1
  H  H243  1  0.163463  0.497077  0.718125  1
  H  H244  1  0.089809  0.206431  0.708454  1
  H  H245  1  0.002662  0.923605  0.697011  1
  H  H246  1  0.163463  0.163743  0.718125  1
  H  H247  1  0.089809  0.873098  0.708454  1
  H  H248  1  0.163463  0.830410  0.718125  1
  H  H249  1  0.502662  0.923605  0.697011  1
  H  H250  1  0.663463  0.163743  0.718125  1
  H  H251  1  0.589809  0.873098  0.708454  1
  H  H252  1  0.663463  0.830410  0.718125  1
