# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00894095
_cell_length_b   12.56896347
_cell_length_c   77.46692413
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   4801.48177523
_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  0.805704  0.662831  0.125539  1
  H  H2  1  0.639038  0.496164  0.125539  1
  H  H3  1  0.540018  0.701405  0.101230  1
  H  H4  1  0.805704  0.162831  0.125539  1
  H  H5  1  0.706684  0.368071  0.101230  1
  H  H6  1  0.873351  0.534738  0.101230  1
  H  H7  1  1.206684  0.368071  0.101230  1
  H  H8  1  0.373351  0.534738  0.101230  1
  H  H9  1  1.040018  0.701405  0.101230  1
  H  H10  1  0.373351  1.034738  0.101230  1
  H  H11  1  0.540018  0.201405  0.101230  1
  H  H12  1  0.472371  0.329497  0.125539  1
  H  H13  1  0.706684  0.868071  0.101230  1
  H  H14  1  0.639038  0.996164  0.125539  1
  H  H15  1  1.206684  0.868071  0.101230  1
  H  H16  1  0.873351  1.034738  0.101230  1
  H  H17  1  1.040018  0.201405  0.101230  1
  H  H18  1  0.472371  0.829497  0.125539  1
  H  H19  1  0.571952  0.623253  0.149520  1
  H  H20  1  0.405285  0.456587  0.149520  1
  H  H21  1  0.305704  0.662831  0.125539  1
  H  H22  1  0.571952  0.123253  0.149520  1
  H  H23  1  0.738618  0.289920  0.149520  1
  H  H24  1  0.905285  0.456587  0.149520  1
  H  H25  1  0.972371  0.329497  0.125539  1
  H  H26  1  1.139038  0.496164  0.125539  1
  H  H27  1  1.071952  0.623253  0.149520  1
  H  H28  1  1.139038  0.996164  0.125539  1
  H  H29  1  0.305704  0.162831  0.125539  1
  H  H30  1  1.238618  0.289920  0.149520  1
  H  H31  1  0.738618  0.789920  0.149520  1
  H  H32  1  0.405285  0.956587  0.149520  1
  H  H33  1  0.972371  0.829497  0.125539  1
  H  H34  1  0.905285  0.956587  0.149520  1
  H  H35  1  1.071952  0.123253  0.149520  1
  H  H36  1  1.238618  0.789920  0.149520  1
  H  H37  1  0.604317  0.544406  0.197634  1
  H  H38  1  0.437650  0.377739  0.197634  1
  H  H39  1  0.338140  0.583813  0.173573  1
  H  H40  1  0.604317  1.044406  0.197634  1
  H  H41  1  0.504807  0.250480  0.173573  1
  H  H42  1  0.671473  0.417147  0.173573  1
  H  H43  1  1.004807  0.250480  0.173573  1
  H  H44  1  1.171473  0.417147  0.173573  1
  H  H45  1  0.838140  0.583813  0.173573  1
  H  H46  1  1.171473  0.917147  0.173573  1
  H  H47  1  0.338140  0.083813  0.173573  1
  H  H48  1  0.270983  0.211073  0.197634  1
  H  H49  1  0.504807  0.750480  0.173573  1
  H  H50  1  0.437650  0.877739  0.197634  1
  H  H51  1  1.004807  0.750480  0.173573  1
  H  H52  1  0.671473  0.917147  0.173573  1
  H  H53  1  0.838140  0.083813  0.173573  1
  H  H54  1  0.270983  0.711073  0.197634  1
  H  H55  1  0.370789  0.504048  0.221686  1
  H  H56  1  1.204122  0.337381  0.221686  1
  H  H57  1  1.104317  0.544406  0.197634  1
  H  H58  1  0.370789  1.004048  0.221686  1
  H  H59  1  0.537455  0.170714  0.221686  1
  H  H60  1  0.704122  0.337381  0.221686  1
  H  H61  1  0.770983  0.211073  0.197634  1
  H  H62  1  0.937650  0.377739  0.197634  1
  H  H63  1  0.870789  0.504048  0.221686  1
  H  H64  1  0.937650  0.877739  0.197634  1
  H  H65  1  1.104317  1.044406  0.197634  1
  H  H66  1  1.037455  0.170714  0.221686  1
  H  H67  1  0.537455  0.670714  0.221686  1
  H  H68  1  1.204122  0.837381  0.221686  1
  H  H69  1  0.770983  0.711073  0.197634  1
  H  H70  1  0.704122  0.837381  0.221686  1
  H  H71  1  0.870789  1.004048  0.221686  1
  H  H72  1  1.037455  0.670714  0.221686  1
  H  H73  1  0.370508  0.504968  0.269781  1
  H  H74  1  1.203842  0.338302  0.269781  1
  H  H75  1  1.104044  0.545314  0.245730  1
  H  H76  1  0.370508  1.004968  0.269781  1
  H  H77  1  0.270711  0.211981  0.245730  1
  H  H78  1  0.437377  0.378647  0.245730  1
  H  H79  1  0.770711  0.211981  0.245730  1
  H  H80  1  0.937377  0.378647  0.245730  1
  H  H81  1  0.604044  0.545314  0.245730  1
  H  H82  1  0.937377  0.878647  0.245730  1
  H  H83  1  1.104044  1.045314  0.245730  1
  H  H84  1  1.037175  0.171635  0.269781  1
  H  H85  1  0.270711  0.711981  0.245730  1
  H  H86  1  1.203842  0.838302  0.269781  1
  H  H87  1  0.770711  0.711981  0.245730  1
  H  H88  1  0.437377  0.878647  0.245730  1
  H  H89  1  0.604044  1.045314  0.245730  1
  H  H90  1  1.037175  0.671635  0.269781  1
  H  H91  1  1.136973  0.464623  0.293832  1
  H  H92  1  0.970306  0.297956  0.293832  1
  H  H93  1  0.870508  0.504968  0.269781  1
  H  H94  1  1.136973  0.964623  0.293832  1
  H  H95  1  0.303639  0.131289  0.293832  1
  H  H96  1  0.470306  0.297956  0.293832  1
  H  H97  1  0.537175  0.171635  0.269781  1
  H  H98  1  0.703842  0.338302  0.269781  1
  H  H99  1  0.636973  0.464623  0.293832  1
  H  H100  1  0.703842  0.838302  0.269781  1
  H  H101  1  0.870508  1.004968  0.269781  1
  H  H102  1  0.803639  0.131289  0.293832  1
  H  H103  1  0.303639  0.631289  0.293832  1
  H  H104  1  0.970306  0.797956  0.293832  1
  H  H105  1  0.537175  0.671635  0.269781  1
  H  H106  1  0.470306  0.797956  0.293832  1
  H  H107  1  0.636973  0.964623  0.293832  1
  H  H108  1  0.803639  0.631289  0.293832  1
  H  H109  1  1.136692  0.465543  0.341927  1
  H  H110  1  0.970026  0.298876  0.341927  1
  H  H111  1  0.870228  0.505889  0.317876  1
  H  H112  1  1.136692  0.965543  0.341927  1
  H  H113  1  1.036895  0.172556  0.317876  1
  H  H114  1  1.203561  0.339222  0.317876  1
  H  H115  1  0.536895  0.172556  0.317876  1
  H  H116  1  0.703561  0.339222  0.317876  1
  H  H117  1  0.370228  0.505889  0.317876  1
  H  H118  1  0.703561  0.839222  0.317876  1
  H  H119  1  0.870228  1.005889  0.317876  1
  H  H120  1  0.803359  0.132210  0.341927  1
  H  H121  1  1.036895  0.672556  0.317876  1
  H  H122  1  0.970026  0.798876  0.341927  1
  H  H123  1  0.536895  0.672556  0.317876  1
  H  H124  1  1.203561  0.839222  0.317876  1
  H  H125  1  0.370228  1.005889  0.317876  1
  H  H126  1  0.803359  0.632210  0.341927  1
  H  H127  1  0.903157  0.425197  0.365978  1
  H  H128  1  0.736490  0.258531  0.365978  1
  H  H129  1  0.636692  0.465543  0.341927  1
  H  H130  1  0.903157  0.925197  0.365978  1
  H  H131  1  1.069824  0.091864  0.365978  1
  H  H132  1  1.236490  0.258531  0.365978  1
  H  H133  1  0.303359  0.132210  0.341927  1
  H  H134  1  0.470026  0.298876  0.341927  1
  H  H135  1  0.403157  0.425197  0.365978  1
  H  H136  1  0.470026  0.798876  0.341927  1
  H  H137  1  0.636692  0.965543  0.341927  1
  H  H138  1  0.569824  0.091864  0.365978  1
  H  H139  1  1.069824  0.591864  0.365978  1
  H  H140  1  0.736490  0.758531  0.365978  1
  H  H141  1  0.303359  0.632210  0.341927  1
  H  H142  1  1.236490  0.758531  0.365978  1
  H  H143  1  0.403157  0.925197  0.365978  1
  H  H144  1  0.569824  0.591864  0.365978  1
  H  H145  1  0.902884  0.426106  0.414074  1
  H  H146  1  0.736218  0.259439  0.414074  1
  H  H147  1  0.636412  0.466464  0.390022  1
  H  H148  1  0.902884  0.926106  0.414074  1
  H  H149  1  0.803079  0.133130  0.390022  1
  H  H150  1  0.969746  0.299797  0.390022  1
  H  H151  1  0.303079  0.133130  0.390022  1
  H  H152  1  0.469746  0.299797  0.390022  1
  H  H153  1  1.136412  0.466464  0.390022  1
  H  H154  1  0.469746  0.799797  0.390022  1
  H  H155  1  0.636412  0.966464  0.390022  1
  H  H156  1  0.569551  0.092772  0.414074  1
  H  H157  1  0.803079  0.633130  0.390022  1
  H  H158  1  0.736218  0.759439  0.414074  1
  H  H159  1  0.303079  0.633130  0.390022  1
  H  H160  1  0.969746  0.799797  0.390022  1
  H  H161  1  1.136412  0.966464  0.390022  1
  H  H162  1  0.569551  0.592772  0.414074  1
  H  H163  1  0.669061  0.386698  0.438136  1
  H  H164  1  0.502394  0.220032  0.438136  1
  H  H165  1  0.402884  0.426106  0.414074  1
  H  H166  1  0.669061  0.886698  0.438136  1
  H  H167  1  0.835727  0.053365  0.438136  1
  H  H168  1  1.002394  0.220032  0.438136  1
  H  H169  1  1.069551  0.092772  0.414074  1
  H  H170  1  1.236218  0.259439  0.414074  1
  H  H171  1  1.169061  0.386698  0.438136  1
  H  H172  1  1.236218  0.759439  0.414074  1
  H  H173  1  0.402884  0.926106  0.414074  1
  H  H174  1  0.335727  0.053365  0.438136  1
  H  H175  1  0.835727  0.553365  0.438136  1
  H  H176  1  0.502394  0.720032  0.438136  1
  H  H177  1  1.069551  0.592772  0.414074  1
  H  H178  1  1.002394  0.720032  0.438136  1
  H  H179  1  1.169061  0.886698  0.438136  1
  H  H180  1  0.335727  0.553365  0.438136  1
  H  H181  1  0.701497  0.307681  0.486170  1
  H  H182  1  0.534830  0.141014  0.486170  1
  H  H183  1  0.435249  0.347258  0.462188  1
  H  H184  1  0.701497  0.807681  0.486170  1
  H  H185  1  0.601916  1.013925  0.462188  1
  H  H186  1  0.768582  0.180591  0.462188  1
  H  H187  1  1.101916  1.013925  0.462188  1
  H  H188  1  0.268582  0.180591  0.462188  1
  H  H189  1  0.935249  0.347258  0.462188  1
  H  H190  1  0.268582  0.680591  0.462188  1
  H  H191  1  0.435249  0.847258  0.462188  1
  H  H192  1  0.368163  0.974348  0.486170  1
  H  H193  1  0.601916  0.513925  0.462188  1
  H  H194  1  0.534830  0.641014  0.486170  1
  H  H195  1  1.101916  0.513925  0.462188  1
  H  H196  1  0.768582  0.680591  0.462188  1
  H  H197  1  0.935249  0.847258  0.462188  1
  H  H198  1  0.368163  0.474348  0.486170  1
  H  H199  1  0.467183  0.269107  0.510478  1
  H  H200  1  0.300516  0.102440  0.510478  1
  H  H201  1  1.201497  0.307681  0.486170  1
  H  H202  1  0.467183  0.769107  0.510478  1
  H  H203  1  0.633850  0.935773  0.510478  1
  H  H204  1  0.800516  0.102440  0.510478  1
  H  H205  1  0.868163  0.974348  0.486170  1
  H  H206  1  1.034830  0.141014  0.486170  1
  H  H207  1  0.967183  0.269107  0.510478  1
  H  H208  1  1.034830  0.641014  0.486170  1
  H  H209  1  1.201497  0.807681  0.486170  1
  H  H210  1  1.133850  0.935773  0.510478  1
  H  H211  1  0.633850  0.435773  0.510478  1
  H  H212  1  0.300516  0.602440  0.510478  1
  H  H213  1  0.868163  0.474348  0.486170  1
  H  H214  1  0.800516  0.602440  0.510478  1
  H  H215  1  0.967183  0.769107  0.510478  1
  H  H216  1  1.133850  0.435773  0.510478  1
