# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.38874486
_cell_length_b   11.85814668
_cell_length_c   34.88848911
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.21894407
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   4272.6643345
_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  0.671031  0.723639  0.455948  1
  H  H2  1  0.066441  0.717329  0.471214  1
  H  H3  1  -0.065563  0.570267  0.444102  1
  H  H4  1  0.004365  0.390306  0.455948  1
  H  H5  1  0.267770  0.736933  0.444102  1
  H  H6  1  0.337698  0.556973  0.455948  1
  H  H7  1  0.733108  0.550662  0.471214  1
  H  H8  1  0.601103  0.403600  0.444102  1
  H  H9  1  0.671031  0.223639  0.455948  1
  H  H10  1  0.066441  0.217329  0.471214  1
  H  H11  1  -0.065563  0.070267  0.444102  1
  H  H12  1  0.004365  0.890306  0.455948  1
  H  H13  1  0.399775  0.383995  0.471214  1
  H  H14  1  0.267770  0.236933  0.444102  1
  H  H15  1  0.337698  0.056973  0.455948  1
  H  H16  1  0.733108  0.050662  0.471214  1
  H  H17  1  0.601103  0.903600  0.444102  1
  H  H18  1  0.399775  0.883995  0.471214  1
  H  H19  1  -0.136243  0.702772  0.494735  1
  H  H20  1  0.263709  0.692537  0.508922  1
  H  H21  1  0.133326  0.544414  0.481881  1
  H  H22  1  0.197091  0.369438  0.494735  1
  H  H23  1  0.466659  0.711081  0.481881  1
  H  H24  1  0.530424  0.536105  0.494735  1
  H  H25  1  -0.069625  0.525870  0.508922  1
  H  H26  1  0.799993  0.377747  0.481881  1
  H  H27  1  -0.136243  0.202772  0.494735  1
  H  H28  1  0.263709  0.192537  0.508922  1
  H  H29  1  0.133326  0.044414  0.481881  1
  H  H30  1  0.197091  0.869438  0.494735  1
  H  H31  1  0.597042  0.359204  0.508922  1
  H  H32  1  0.466659  0.211081  0.481881  1
  H  H33  1  0.530424  0.036105  0.494735  1
  H  H34  1  -0.069625  0.025870  0.508922  1
  H  H35  1  0.799993  0.877747  0.481881  1
  H  H36  1  0.597042  0.859204  0.508922  1
  H  H37  1  0.060236  0.673715  0.534620  1
  H  H38  1  0.458655  0.665003  0.546506  1
  H  H39  1  0.328213  0.516458  0.521421  1
  H  H40  1  0.393569  0.340381  0.534620  1
  H  H41  1  0.661546  0.683124  0.521421  1
  H  H42  1  0.726902  0.507048  0.534620  1
  H  H43  1  0.125321  0.498336  0.546506  1
  H  H44  1  -0.005120  0.349791  0.521421  1
  H  H45  1  0.060236  0.173715  0.534620  1
  H  H46  1  0.458655  0.165003  0.546506  1
  H  H47  1  0.328213  1.016458  0.521421  1
  H  H48  1  0.393569  0.840381  0.534620  1
  H  H49  1  0.791988  0.331669  0.546506  1
  H  H50  1  0.661546  0.183124  0.521421  1
  H  H51  1  0.726902  1.007048  0.534620  1
  H  H52  1  0.125321  0.998336  0.546506  1
  H  H53  1  -0.005120  0.849791  0.521421  1
  H  H54  1  0.791988  0.831669  0.546506  1
  H  H55  1  0.255630  0.646091  0.572638  1
  H  H56  1  0.654218  0.636643  0.585347  1
  H  H57  1  0.523759  0.489147  0.559189  1
  H  H58  1  0.588963  0.312758  0.572638  1
  H  H59  1  0.857092  0.655813  0.559189  1
  H  H60  1  -0.077703  0.479425  0.572638  1
  H  H61  1  0.320885  0.469976  0.585347  1
  H  H62  1  0.190426  0.322480  0.559189  1
  H  H63  1  0.255630  0.146091  0.572638  1
  H  H64  1  0.654218  0.136643  0.585347  1
  H  H65  1  0.523759  0.989147  0.559189  1
  H  H66  1  0.588963  0.812758  0.572638  1
  H  H67  1  -0.012448  0.303309  0.585347  1
  H  H68  1  0.857092  0.155813  0.559189  1
  H  H69  1  -0.077703  0.979425  0.572638  1
  H  H70  1  0.320885  0.969976  0.585347  1
  H  H71  1  0.190426  0.822480  0.559189  1
  H  H72  1  -0.012448  0.803309  0.585347  1
  H  H73  1  0.451135  0.618562  0.610802  1
  H  H74  1  0.849396  0.609452  0.623635  1
  H  H75  1  0.719155  0.460743  0.598347  1
  H  H76  1  0.784469  0.285229  0.610802  1
  H  H77  1  0.052488  0.627409  0.598347  1
  H  H78  1  0.117802  0.451896  0.610802  1
  H  H79  1  0.516063  0.442785  0.623635  1
  H  H80  1  0.385821  0.294076  0.598347  1
  H  H81  1  0.451135  0.118562  0.610802  1
  H  H82  1  0.849396  0.109452  0.623635  1
  H  H83  1  0.719155  0.960743  0.598347  1
  H  H84  1  0.784469  0.785229  0.610802  1
  H  H85  1  0.182730  0.276119  0.623635  1
  H  H86  1  0.052488  0.127409  0.598347  1
  H  H87  1  0.117802  0.951896  0.610802  1
  H  H88  1  0.516063  0.942785  0.623635  1
  H  H89  1  0.385821  0.794076  0.598347  1
  H  H90  1  0.182730  0.776119  0.623635  1
  H  H91  1  0.646521  0.590614  0.649570  1
  H  H92  1  0.044988  0.581433  0.662441  1
  H  H93  1  -0.085274  0.433343  0.636690  1
  H  H94  1  -0.020145  0.257281  0.649570  1
  H  H95  1  0.248059  0.600010  0.636690  1
  H  H96  1  0.313188  0.423947  0.649570  1
  H  H97  1  0.711655  0.414766  0.662441  1
  H  H98  1  0.581393  0.266676  0.636690  1
  H  H99  1  0.646521  0.090614  0.649570  1
  H  H100  1  0.044988  0.081433  0.662441  1
  H  H101  1  -0.085274  0.933343  0.636690  1
  H  H102  1  -0.020145  0.757281  0.649570  1
  H  H103  1  0.378322  0.248100  0.662441  1
  H  H104  1  0.248059  0.100010  0.636690  1
  H  H105  1  0.313188  0.923947  0.649570  1
  H  H106  1  0.711655  0.914766  0.662441  1
  H  H107  1  0.581393  0.766676  0.636690  1
  H  H108  1  0.378322  0.748100  0.662441  1
  H  H109  1  0.841935  0.563265  0.687923  1
  H  H110  1  0.240397  0.553870  0.700803  1
  H  H111  1  0.110135  0.405779  0.675052  1
  H  H112  1  0.175268  0.229932  0.687923  1
  H  H113  1  0.443468  0.572446  0.675052  1
  H  H114  1  0.508602  0.396598  0.687923  1
  H  H115  1  -0.092936  0.387203  0.700803  1
  H  H116  1  0.776801  0.239113  0.675052  1
  H  H117  1  0.841935  0.063265  0.687923  1
  H  H118  1  0.240397  0.053870  0.700803  1
  H  H119  1  0.110135  0.905779  0.675052  1
  H  H120  1  0.175268  0.729932  0.687923  1
  H  H121  1  0.573730  0.220536  0.700803  1
  H  H122  1  0.443468  0.072446  0.675052  1
  H  H123  1  0.508602  0.896598  0.687923  1
  H  H124  1  -0.092936  0.887203  0.700803  1
  H  H125  1  0.776801  0.739113  0.675052  1
  H  H126  1  0.573730  0.720536  0.700803  1
  H  H127  1  0.037321  0.535317  0.726691  1
  H  H128  1  0.435968  0.526470  0.739146  1
  H  H129  1  0.305726  0.377760  0.713858  1
  H  H130  1  0.370654  0.201983  0.726691  1
  H  H131  1  0.639060  0.544427  0.713858  1
  H  H132  1  0.703987  0.368650  0.726691  1
  H  H133  1  0.102635  0.359803  0.739146  1
  H  H134  1  -0.027607  0.211094  0.713858  1
  H  H135  1  0.037321  0.035317  0.726691  1
  H  H136  1  0.435968  0.026470  0.739146  1
  H  H137  1  0.305726  0.877760  0.713858  1
  H  H138  1  0.370654  0.701983  0.726691  1
  H  H139  1  0.769302  0.193136  0.739146  1
  H  H140  1  0.639060  0.044427  0.713858  1
  H  H141  1  0.703987  0.868650  0.726691  1
  H  H142  1  0.102635  0.859803  0.739146  1
  H  H143  1  -0.027607  0.711094  0.713858  1
  H  H144  1  0.769302  0.693136  0.739146  1
  H  H145  1  0.232826  0.507788  0.764855  1
  H  H146  1  0.631364  0.498066  0.778304  1
  H  H147  1  0.500904  0.350570  0.752146  1
  H  H148  1  0.566159  0.174455  0.764855  1
  H  H149  1  0.834238  0.517236  0.752146  1
  H  H150  1  -0.100507  0.341121  0.764855  1
  H  H151  1  0.298030  0.331399  0.778304  1
  H  H152  1  0.167571  0.183903  0.752146  1
  H  H153  1  0.232826  1.007788  0.764855  1
  H  H154  1  0.631364  0.998066  0.778304  1
  H  H155  1  0.500904  0.850570  0.752146  1
  H  H156  1  0.566159  0.674455  0.764855  1
  H  H157  1  -0.035303  0.164732  0.778304  1
  H  H158  1  0.834238  0.017236  0.752146  1
  H  H159  1  -0.100507  0.841121  0.764855  1
  H  H160  1  0.298030  0.831399  0.778304  1
  H  H161  1  0.167571  0.683903  0.752146  1
  H  H162  1  -0.035303  0.664732  0.778304  1
  H  H163  1  0.428220  0.480164  0.802873  1
  H  H164  1  0.826910  0.470755  0.816073  1
  H  H165  1  0.696468  0.322210  0.790987  1
  H  H166  1  0.761554  0.146831  0.802873  1
  H  H167  1  0.029801  0.488876  0.790987  1
  H  H168  1  0.094887  0.313498  0.802873  1
  H  H169  1  0.493576  0.304088  0.816073  1
  H  H170  1  0.363135  0.155543  0.790987  1
  H  H171  1  0.428220  0.980164  0.802873  1
  H  H172  1  0.826910  0.970755  0.816073  1
  H  H173  1  0.696468  0.822210  0.790987  1
  H  H174  1  0.761554  0.646831  0.802873  1
  H  H175  1  0.160243  0.137421  0.816073  1
  H  H176  1  0.029801  0.988876  0.790987  1
  H  H177  1  0.094887  0.813498  0.802873  1
  H  H178  1  0.493576  0.804088  0.816073  1
  H  H179  1  0.363135  0.655543  0.790987  1
  H  H180  1  0.160243  0.637421  0.816073  1
  H  H181  1  0.624699  0.451107  0.842758  1
  H  H182  1  0.021797  0.442798  0.855613  1
  H  H183  1  -0.108586  0.294675  0.828571  1
  H  H184  1  -0.041968  0.117774  0.842758  1
  H  H185  1  0.224747  0.461342  0.828571  1
  H  H186  1  0.291365  0.284441  0.842758  1
  H  H187  1  0.688463  0.276132  0.855613  1
  H  H188  1  0.558081  0.128009  0.828571  1
  H  H189  1  0.624699  0.951107  0.842758  1
  H  H190  1  0.021797  0.942798  0.855613  1
  H  H191  1  -0.108586  0.794675  0.828571  1
  H  H192  1  -0.041968  0.617774  0.842758  1
  H  H193  1  0.355130  0.109465  0.855613  1
  H  H194  1  0.224747  0.961342  0.828571  1
  H  H195  1  0.291365  0.784441  0.842758  1
  H  H196  1  0.688463  0.776132  0.855613  1
  H  H197  1  0.558081  0.628009  0.828571  1
  H  H198  1  0.355130  0.609465  0.855613  1
  H  H199  1  0.817425  0.430240  0.881545  1
  H  H200  1  0.220686  0.416946  0.893391  1
  H  H201  1  0.088681  0.269884  0.866279  1
  H  H202  1  0.150758  0.096906  0.881545  1
  H  H203  1  0.422015  0.436550  0.866279  1
  H  H204  1  0.484091  0.263573  0.881545  1
  H  H205  1  -0.112647  0.250279  0.893391  1
  H  H206  1  0.755348  0.103217  0.866279  1
  H  H207  1  0.817425  0.930240  0.881545  1
  H  H208  1  0.220686  0.916946  0.893391  1
  H  H209  1  0.088681  0.769884  0.866279  1
  H  H210  1  0.150758  0.596906  0.881545  1
  H  H211  1  0.554019  0.083612  0.893391  1
  H  H212  1  0.422015  0.936550  0.866279  1
  H  H213  1  0.484091  0.763573  0.881545  1
  H  H214  1  -0.112647  0.750279  0.893391  1
  H  H215  1  0.755348  0.603217  0.866279  1
  H  H216  1  0.554019  0.583612  0.893391  1
