# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61734101
_cell_length_b   11.90514368
_cell_length_c   47.81623871
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   4336.24139174
_cell_formula_units_Z   108
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  0.820396  0.558423  0.277256  1
  H  H2  1  0.827166  0.253964  0.261369  1
  H  H3  1  0.827769  0.877661  0.297365  1
  H  H4  1  0.572653  0.530031  0.305147  1
  H  H5  1  0.573300  0.207214  0.286022  1
  H  H6  1  0.579443  0.900384  0.269885  1
  H  H7  1  0.317954  0.588499  0.279082  1
  H  H8  1  0.321941  0.283285  0.264096  1
  H  H9  1  0.325033  0.911839  0.299383  1
  H  H10  1  0.070410  0.564775  0.306527  1
  H  H11  1  0.073033  0.244410  0.289589  1
  H  H12  1  0.075754  0.929841  0.271301  1
  H  H13  1  0.827166  0.753964  0.261369  1
  H  H14  1  0.827769  0.377661  0.297365  1
  H  H15  1  0.820396  1.058423  0.277256  1
  H  H16  1  0.573300  0.707214  0.286022  1
  H  H17  1  0.579443  0.400384  0.269885  1
  H  H18  1  0.572653  1.030031  0.305147  1
  H  H19  1  0.321941  0.783285  0.264096  1
  H  H20  1  0.325033  0.411839  0.299383  1
  H  H21  1  0.317954  1.088499  0.279082  1
  H  H22  1  0.073033  0.744410  0.289589  1
  H  H23  1  0.075754  0.429841  0.271301  1
  H  H24  1  0.070410  1.064775  0.306527  1
  H  H25  1  0.823878  0.511646  0.330351  1
  H  H26  1  0.821424  0.192129  0.312850  1
  H  H27  1  0.824000  0.828333  0.346784  1
  H  H28  1  0.572524  0.482987  0.354740  1
  H  H29  1  0.573228  1.166008  0.338436  1
  H  H30  1  0.574574  0.844654  0.320670  1
  H  H31  1  0.322115  0.549234  0.332191  1
  H  H32  1  0.326119  0.227413  0.314566  1
  H  H33  1  0.325835  0.865803  0.348705  1
  H  H34  1  0.073035  0.523923  0.357322  1
  H  H35  1  0.073538  0.204401  0.340036  1
  H  H36  1  0.074852  0.884914  0.323660  1
  H  H37  1  0.821424  0.692129  0.312850  1
  H  H38  1  0.824000  0.328333  0.346784  1
  H  H39  1  0.823878  1.011646  0.330351  1
  H  H40  1  0.573228  0.666008  0.338436  1
  H  H41  1  0.574574  0.344654  0.320670  1
  H  H42  1  0.572524  0.982987  0.354740  1
  H  H43  1  0.326119  0.727413  0.314566  1
  H  H44  1  0.325835  0.365803  0.348705  1
  H  H45  1  0.322115  1.049234  0.332191  1
  H  H46  1  0.073538  0.704401  0.340036  1
  H  H47  1  0.074852  0.384914  0.323660  1
  H  H48  1  0.073035  1.023923  0.357322  1
  H  H49  1  0.823495  0.465052  0.380491  1
  H  H50  1  0.824886  1.147342  0.363736  1
  H  H51  1  0.824915  0.783705  0.397460  1
  H  H52  1  0.573438  0.440536  0.405752  1
  H  H53  1  0.573510  1.121069  0.388626  1
  H  H54  1  0.573978  0.802956  0.372019  1
  H  H55  1  0.324366  0.503874  0.382510  1
  H  H56  1  0.323658  0.185798  0.365770  1
  H  H57  1  0.324405  0.822950  0.399521  1
  H  H58  1  0.073478  0.480813  0.407829  1
  H  H59  1  0.073712  1.162117  0.391034  1
  H  H60  1  0.073987  0.842786  0.373972  1
  H  H61  1  0.824886  0.647342  0.363736  1
  H  H62  1  0.824915  0.283705  0.397460  1
  H  H63  1  0.823495  0.965052  0.380491  1
  H  H64  1  0.573510  0.621069  0.388626  1
  H  H65  1  0.573978  0.302956  0.372019  1
  H  H66  1  0.573438  0.940536  0.405752  1
  H  H67  1  0.323658  0.685798  0.365770  1
  H  H68  1  0.324405  0.322950  0.399521  1
  H  H69  1  0.324366  1.003874  0.382510  1
  H  H70  1  0.073712  0.662117  0.391034  1
  H  H71  1  0.073987  0.342786  0.373972  1
  H  H72  1  0.073478  0.980813  0.407829  1
  H  H73  1  0.824515  0.420609  0.431186  1
  H  H74  1  0.824237  1.101982  0.414259  1
  H  H75  1  0.824604  0.739114  0.448046  1
  H  H76  1  0.573773  0.396946  0.456385  1
  H  H77  1  0.573806  1.078180  0.439521  1
  H  H78  1  0.573882  0.759066  0.422539  1
  H  H79  1  0.324305  0.460405  0.433287  1
  H  H80  1  0.324776  1.141463  0.416341  1
  H  H81  1  0.324821  0.779063  0.450163  1
  H  H82  1  0.073843  0.437506  0.458594  1
  H  H83  1  0.073888  1.118610  0.441644  1
  H  H84  1  0.073946  0.799914  0.424819  1
  H  H85  1  0.824237  0.601982  0.414259  1
  H  H86  1  0.824604  0.239114  0.448046  1
  H  H87  1  0.824515  0.920609  0.431186  1
  H  H88  1  0.573806  0.578180  0.439521  1
  H  H89  1  0.573882  0.259066  0.422539  1
  H  H90  1  0.573773  0.896946  0.456385  1
  H  H91  1  0.324776  0.641463  0.416341  1
  H  H92  1  0.324821  0.279063  0.450163  1
  H  H93  1  0.324305  0.960405  0.433287  1
  H  H94  1  0.073888  0.618610  0.441644  1
  H  H95  1  0.073946  0.299914  0.424819  1
  H  H96  1  0.073843  0.937506  0.458594  1
  H  H97  1  0.824646  0.376435  0.481817  1
  H  H98  1  0.824725  1.057829  0.464946  1
  H  H99  1  0.824760  0.695226  0.498731  1
  H  H100  1  0.574066  0.353487  0.507106  1
  H  H101  1  0.573987  1.034677  0.490207  1
  H  H102  1  0.573965  0.715862  0.473312  1
  H  H103  1  0.324763  0.416738  0.483976  1
  H  H104  1  0.324683  1.097929  0.467076  1
  H  H105  1  0.324784  0.735554  0.500870  1
  H  H106  1  0.074024  0.393586  0.509237  1
  H  H107  1  0.074104  1.074980  0.492365  1
  H  H108  1  0.073989  0.756190  0.475451  1
  H  H109  1  0.824725  0.557829  0.464946  1
  H  H110  1  0.824760  0.195226  0.498731  1
  H  H111  1  0.824646  0.876435  0.481817  1
  H  H112  1  0.573987  0.534677  0.490207  1
  H  H113  1  0.573965  0.215862  0.473312  1
  H  H114  1  0.574066  0.853487  0.507106  1
  H  H115  1  0.324683  0.597929  0.467076  1
  H  H116  1  0.324784  0.235554  0.500870  1
  H  H117  1  0.324763  0.916738  0.483976  1
  H  H118  1  0.074104  0.574980  0.492365  1
  H  H119  1  0.073989  0.256190  0.475451  1
  H  H120  1  0.074024  0.893586  0.509237  1
  H  H121  1  0.824861  0.332806  0.532538  1
  H  H122  1  0.824907  1.013910  0.515588  1
  H  H123  1  0.824803  0.651501  0.549363  1
  H  H124  1  0.573973  0.309953  0.557841  1
  H  H125  1  0.574444  0.991011  0.540895  1
  H  H126  1  0.573928  0.672353  0.524019  1
  H  H127  1  0.324943  0.373236  0.534661  1
  H  H128  1  0.324976  1.054469  0.517797  1
  H  H129  1  0.324868  0.692349  0.551644  1
  H  H130  1  0.074512  0.349434  0.559923  1
  H  H131  1  0.074235  1.030806  0.542996  1
  H  H132  1  0.074145  0.712302  0.526137  1
  H  H133  1  0.824907  0.513910  0.515588  1
  H  H134  1  0.824803  1.151501  0.549363  1
  H  H135  1  0.824861  0.832806  0.532538  1
  H  H136  1  0.574444  0.491011  0.540895  1
  H  H137  1  0.573928  1.172353  0.524019  1
  H  H138  1  0.573973  0.809953  0.557841  1
  H  H139  1  0.324976  0.554469  0.517797  1
  H  H140  1  0.324868  0.192349  0.551644  1
  H  H141  1  0.324943  0.873236  0.534661  1
  H  H142  1  0.074235  0.530806  0.542996  1
  H  H143  1  0.074145  0.212302  0.526137  1
  H  H144  1  0.074512  0.849434  0.559923  1
  H  H145  1  0.825037  0.289299  0.583148  1
  H  H146  1  0.825271  0.970603  0.566354  1
  H  H147  1  0.824762  0.608629  0.600210  1
  H  H148  1  0.575091  0.265618  0.608412  1
  H  H149  1  0.574383  0.947541  0.591672  1
  H  H150  1  0.574344  0.628466  0.574661  1
  H  H151  1  0.325239  0.330346  0.585556  1
  H  H152  1  0.325311  1.010880  0.568431  1
  H  H153  1  0.324771  0.648460  0.602163  1
  H  H154  1  0.073864  0.304074  0.610446  1
  H  H155  1  0.075254  0.986364  0.593691  1
  H  H156  1  0.073834  0.667711  0.576722  1
  H  H157  1  0.825271  0.470603  0.566354  1
  H  H158  1  0.824762  1.108629  0.600210  1
  H  H159  1  0.825037  0.789299  0.583148  1
  H  H160  1  0.574383  0.447541  0.591672  1
  H  H161  1  0.574344  1.128466  0.574661  1
  H  H162  1  0.575091  0.765618  0.608412  1
  H  H163  1  0.325311  0.510880  0.568431  1
  H  H164  1  0.324771  1.148460  0.602163  1
  H  H165  1  0.325239  0.830346  0.585556  1
  H  H166  1  0.075254  0.486364  0.593691  1
  H  H167  1  0.073834  1.167711  0.576722  1
  H  H168  1  0.073864  0.804074  0.610446  1
  H  H169  1  0.825212  0.247014  0.634147  1
  H  H170  1  0.825714  0.927493  0.616860  1
  H  H171  1  0.823897  0.566501  0.650523  1
  H  H172  1  0.572630  0.224003  0.659617  1
  H  H173  1  0.576634  0.902182  0.641992  1
  H  H174  1  0.572914  0.585612  0.625477  1
  H  H175  1  0.325522  0.285407  0.635746  1
  H  H176  1  0.326225  0.968429  0.619442  1
  H  H177  1  0.324175  0.606762  0.653513  1
  H  H178  1  0.077326  0.259287  0.661332  1
  H  H179  1  0.074871  0.939770  0.643831  1
  H  H180  1  0.074749  0.623082  0.627398  1
  H  H181  1  0.825714  0.427493  0.616860  1
  H  H182  1  0.823897  1.066501  0.650523  1
  H  H183  1  0.825212  0.747014  0.634147  1
  H  H184  1  0.576634  0.402182  0.641992  1
  H  H185  1  0.572914  1.085612  0.625477  1
  H  H186  1  0.572630  0.724003  0.659617  1
  H  H187  1  0.326225  0.468429  0.619442  1
  H  H188  1  0.324175  1.106762  0.653513  1
  H  H189  1  0.325522  0.785407  0.635746  1
  H  H190  1  0.074871  0.439770  0.643831  1
  H  H191  1  0.074749  1.123082  0.627398  1
  H  H192  1  0.077326  0.759287  0.661332  1
  H  H193  1  0.825716  0.207006  0.684593  1
  H  H194  1  0.828339  0.886640  0.667655  1
  H  H195  1  0.822995  0.521574  0.702881  1
  H  H196  1  0.576809  1.168131  0.710086  1
  H  H197  1  0.580795  0.862917  0.695100  1
  H  H198  1  0.573716  0.539577  0.674799  1
  H  H199  1  0.325449  0.244202  0.688160  1
  H  H200  1  0.326097  0.921385  0.669035  1
  H  H201  1  0.319307  0.551031  0.704298  1
  H  H202  1  0.071583  0.197452  0.712814  1
  H  H203  1  0.078354  0.892993  0.696926  1
  H  H204  1  0.070981  0.573754  0.676817  1
  H  H205  1  0.828339  0.386640  0.667655  1
  H  H206  1  0.822995  1.021574  0.702881  1
  H  H207  1  0.825716  0.707006  0.684593  1
  H  H208  1  0.580795  0.362917  0.695100  1
  H  H209  1  0.573716  1.039577  0.674799  1
  H  H210  1  0.576809  0.668131  0.710086  1
  H  H211  1  0.326097  0.421385  0.669035  1
  H  H212  1  0.319307  1.051031  0.704298  1
  H  H213  1  0.325449  0.744202  0.688160  1
  H  H214  1  0.078354  0.392993  0.696926  1
  H  H215  1  0.070981  1.073754  0.676817  1
  H  H216  1  0.071583  0.697452  0.712814  1
