# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   31.17446536
_cell_length_b   15.06844784
_cell_length_c   46.78055597
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.48629849
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H864
_cell_volume   21532.9968159
_cell_formula_units_Z   432
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  0.793163  0.941157  0.343750  1
  H  H2  1  0.293163  0.941157  0.343750  1
  H  H3  1  0.479492  0.070687  0.292468  1
  H  H4  1  0.626496  0.607824  0.343750  1
  H  H5  1  0.636328  0.005922  0.318109  1
  H  H6  1  0.812826  0.737353  0.292468  1
  H  H7  1  0.979492  0.070687  0.292468  1
  H  H8  1  0.126496  0.607824  0.343750  1
  H  H9  1  0.136328  0.005922  0.318109  1
  H  H10  1  0.312826  0.737353  0.292468  1
  H  H11  1  0.459830  0.274490  0.343750  1
  H  H12  1  0.469661  0.672588  0.318109  1
  H  H13  1  0.646159  0.404020  0.292468  1
  H  H14  1  0.802994  0.339255  0.318109  1
  H  H15  1  0.959830  0.274490  0.343750  1
  H  H16  1  0.969661  0.672588  0.318109  1
  H  H17  1  0.146159  0.404020  0.292468  1
  H  H18  1  0.302994  0.339255  0.318109  1
  H  H19  1  0.721755  0.900889  0.312649  1
  H  H20  1  0.221755  0.900889  0.312649  1
  H  H21  1  0.378590  0.836124  0.338290  1
  H  H22  1  0.555088  0.567555  0.312649  1
  H  H23  1  0.564919  0.965654  0.287008  1
  H  H24  1  0.711923  0.502791  0.338290  1
  H  H25  1  0.878590  0.836124  0.338290  1
  H  H26  1  0.055088  0.567555  0.312649  1
  H  H27  1  0.064919  0.965654  0.287008  1
  H  H28  1  0.211923  0.502791  0.338290  1
  H  H29  1  0.388421  0.234222  0.312649  1
  H  H30  1  0.398253  0.632320  0.287008  1
  H  H31  1  0.545256  0.169457  0.338290  1
  H  H32  1  0.731586  0.298987  0.287008  1
  H  H33  1  0.888421  0.234222  0.312649  1
  H  H34  1  0.898253  0.632320  0.287008  1
  H  H35  1  0.045256  0.169457  0.338290  1
  H  H36  1  0.231586  0.298987  0.287008  1
  H  H37  1  0.875624  0.211421  0.302735  1
  H  H38  1  0.375624  0.211421  0.302735  1
  H  H39  1  0.532460  0.146656  0.328376  1
  H  H40  1  0.708958  0.878087  0.302735  1
  H  H41  1  0.718789  0.276186  0.277094  1
  H  H42  1  0.865793  0.813322  0.328376  1
  H  H43  1  0.032460  0.146656  0.328376  1
  H  H44  1  0.208958  0.878087  0.302735  1
  H  H45  1  0.218789  0.276186  0.277094  1
  H  H46  1  0.365793  0.813322  0.328376  1
  H  H47  1  0.542291  0.544754  0.302735  1
  H  H48  1  0.552123  0.942852  0.277094  1
  H  H49  1  0.699126  0.479989  0.328376  1
  H  H50  1  0.885456  0.609519  0.277094  1
  H  H51  1  0.042291  0.544754  0.302735  1
  H  H52  1  0.052123  0.942852  0.277094  1
  H  H53  1  0.199126  0.479989  0.328376  1
  H  H54  1  0.385456  0.609519  0.277094  1
  H  H55  1  0.804216  0.171153  0.271634  1
  H  H56  1  0.304216  0.171153  0.271634  1
  H  H57  1  0.461051  0.106388  0.297275  1
  H  H58  1  0.637549  0.837819  0.271634  1
  H  H59  1  0.617887  0.041623  0.322916  1
  H  H60  1  0.794385  0.773054  0.297275  1
  H  H61  1  0.961051  0.106388  0.297275  1
  H  H62  1  0.137549  0.837819  0.271634  1
  H  H63  1  0.117887  0.041623  0.322916  1
  H  H64  1  0.294385  0.773054  0.297275  1
  H  H65  1  0.470883  0.504486  0.271634  1
  H  H66  1  0.451220  0.708289  0.322916  1
  H  H67  1  0.627718  0.439721  0.297275  1
  H  H68  1  0.784553  0.374956  0.322916  1
  H  H69  1  0.970883  0.504486  0.271634  1
  H  H70  1  0.951220  0.708289  0.322916  1
  H  H71  1  0.127718  0.439721  0.297275  1
  H  H72  1  0.284553  0.374956  0.322916  1
  H  H73  1  0.729492  0.070687  0.292468  1
  H  H74  1  0.229492  0.070687  0.292468  1
  H  H75  1  0.386328  0.005922  0.318109  1
  H  H76  1  0.562826  0.737353  0.292468  1
  H  H77  1  0.543163  0.941157  0.343750  1
  H  H78  1  0.719661  0.672588  0.318109  1
  H  H79  1  0.886328  0.005922  0.318109  1
  H  H80  1  0.062826  0.737353  0.292468  1
  H  H81  1  0.043163  0.941157  0.343750  1
  H  H82  1  0.219661  0.672588  0.318109  1
  H  H83  1  0.396159  0.404020  0.292468  1
  H  H84  1  0.376496  0.607824  0.343750  1
  H  H85  1  0.552994  0.339255  0.318109  1
  H  H86  1  0.709830  0.274490  0.343750  1
  H  H87  1  0.896159  0.404020  0.292468  1
  H  H88  1  0.876496  0.607824  0.343750  1
  H  H89  1  0.052994  0.339255  0.318109  1
  H  H90  1  0.209830  0.274490  0.343750  1
  H  H91  1  0.814919  0.965654  0.287008  1
  H  H92  1  0.314919  0.965654  0.287008  1
  H  H93  1  0.471755  0.900889  0.312649  1
  H  H94  1  0.648253  0.632320  0.287008  1
  H  H95  1  0.628590  0.836124  0.338290  1
  H  H96  1  0.805088  0.567555  0.312649  1
  H  H97  1  0.971755  0.900889  0.312649  1
  H  H98  1  0.148253  0.632320  0.287008  1
  H  H99  1  0.128590  0.836124  0.338290  1
  H  H100  1  0.305088  0.567555  0.312649  1
  H  H101  1  0.481586  0.298987  0.287008  1
  H  H102  1  0.461923  0.502791  0.338290  1
  H  H103  1  0.638421  0.234222  0.312649  1
  H  H104  1  0.795256  0.169457  0.338290  1
  H  H105  1  0.981586  0.298987  0.287008  1
  H  H106  1  0.961923  0.502791  0.338290  1
  H  H107  1  0.138421  0.234222  0.312649  1
  H  H108  1  0.295256  0.169457  0.338290  1
  H  H109  1  0.782460  0.146656  0.328376  1
  H  H110  1  0.282460  0.146656  0.328376  1
  H  H111  1  0.468789  0.276186  0.277094  1
  H  H112  1  0.615793  0.813322  0.328376  1
  H  H113  1  0.625624  0.211421  0.302735  1
  H  H114  1  0.802123  0.942852  0.277094  1
  H  H115  1  0.968789  0.276186  0.277094  1
  H  H116  1  0.115793  0.813322  0.328376  1
  H  H117  1  0.125624  0.211421  0.302735  1
  H  H118  1  0.302123  0.942852  0.277094  1
  H  H119  1  0.449126  0.479989  0.328376  1
  H  H120  1  0.458958  0.878087  0.302735  1
  H  H121  1  0.635456  0.609519  0.277094  1
  H  H122  1  0.792291  0.544754  0.302735  1
  H  H123  1  0.949126  0.479989  0.328376  1
  H  H124  1  0.958958  0.878087  0.302735  1
  H  H125  1  0.135456  0.609519  0.277094  1
  H  H126  1  0.292291  0.544754  0.302735  1
  H  H127  1  0.867887  0.041623  0.322916  1
  H  H128  1  0.367887  0.041623  0.322916  1
  H  H129  1  0.554216  0.171153  0.271634  1
  H  H130  1  0.701220  0.708289  0.322916  1
  H  H131  1  0.711051  0.106388  0.297275  1
  H  H132  1  0.887549  0.837819  0.271634  1
  H  H133  1  0.054216  0.171153  0.271634  1
  H  H134  1  0.201220  0.708289  0.322916  1
  H  H135  1  0.211051  0.106388  0.297275  1
  H  H136  1  0.387549  0.837819  0.271634  1
  H  H137  1  0.534553  0.374956  0.322916  1
  H  H138  1  0.544385  0.773054  0.297275  1
  H  H139  1  0.720883  0.504486  0.271634  1
  H  H140  1  0.877718  0.439721  0.297275  1
  H  H141  1  0.034553  0.374956  0.322916  1
  H  H142  1  0.044385  0.773054  0.297275  1
  H  H143  1  0.220883  0.504486  0.271634  1
  H  H144  1  0.377718  0.439721  0.297275  1
  H  H145  1  0.763669  0.746862  0.420674  1
  H  H146  1  0.263669  0.746862  0.420674  1
  H  H147  1  0.449998  0.876392  0.369391  1
  H  H148  1  0.597002  0.413529  0.420674  1
  H  H149  1  0.606833  0.811627  0.395033  1
  H  H150  1  0.783331  0.543059  0.369391  1
  H  H151  1  0.949998  0.876392  0.369391  1
  H  H152  1  0.097002  0.413529  0.420674  1
  H  H153  1  0.106833  0.811627  0.395033  1
  H  H154  1  0.283331  0.543059  0.369391  1
  H  H155  1  0.430335  0.080196  0.420674  1
  H  H156  1  0.440167  0.478294  0.395033  1
  H  H157  1  0.616665  0.209725  0.369391  1
  H  H158  1  0.773500  0.144960  0.395033  1
  H  H159  1  0.930335  0.080196  0.420674  1
  H  H160  1  0.940167  0.478294  0.395033  1
  H  H161  1  0.116665  0.209725  0.369391  1
  H  H162  1  0.273500  0.144960  0.395033  1
  H  H163  1  0.692260  0.706594  0.389572  1
  H  H164  1  0.192260  0.706594  0.389572  1
  H  H165  1  0.349095  0.641829  0.415213  1
  H  H166  1  0.525594  0.373261  0.389572  1
  H  H167  1  0.535425  0.771359  0.363931  1
  H  H168  1  0.682429  0.308496  0.415213  1
  H  H169  1  0.849095  0.641829  0.415213  1
  H  H170  1  0.025594  0.373261  0.389572  1
  H  H171  1  0.035425  0.771359  0.363931  1
  H  H172  1  0.182429  0.308496  0.415213  1
  H  H173  1  0.358927  0.039927  0.389572  1
  H  H174  1  0.368758  0.438026  0.363931  1
  H  H175  1  0.515762  0.975163  0.415213  1
  H  H176  1  0.702092  0.104692  0.363931  1
  H  H177  1  0.858927  0.039927  0.389572  1
  H  H178  1  0.868758  0.438026  0.363931  1
  H  H179  1  0.015762  0.975163  0.415213  1
  H  H180  1  0.202092  0.104692  0.363931  1
  H  H181  1  0.846130  0.017126  0.379658  1
  H  H182  1  0.346130  0.017126  0.379658  1
  H  H183  1  0.502965  0.952361  0.405299  1
  H  H184  1  0.679463  0.683793  0.379658  1
  H  H185  1  0.689295  0.081891  0.354017  1
  H  H186  1  0.836299  0.619028  0.405299  1
  H  H187  1  0.002965  0.952361  0.405299  1
  H  H188  1  0.179463  0.683793  0.379658  1
  H  H189  1  0.189295  0.081891  0.354017  1
  H  H190  1  0.336299  0.619028  0.405299  1
  H  H191  1  0.512797  0.350459  0.379658  1
  H  H192  1  0.522628  0.748558  0.354017  1
  H  H193  1  0.669632  0.285695  0.405299  1
  H  H194  1  0.855962  0.415224  0.354017  1
  H  H195  1  0.012797  0.350459  0.379658  1
  H  H196  1  0.022628  0.748558  0.354017  1
  H  H197  1  0.169632  0.285695  0.405299  1
  H  H198  1  0.355962  0.415224  0.354017  1
  H  H199  1  0.774722  0.976858  0.348557  1
  H  H200  1  0.274722  0.976858  0.348557  1
  H  H201  1  0.431557  0.912093  0.374198  1
  H  H202  1  0.608055  0.643525  0.348557  1
  H  H203  1  0.588392  0.847328  0.399839  1
  H  H204  1  0.764890  0.578760  0.374198  1
  H  H205  1  0.931557  0.912093  0.374198  1
  H  H206  1  0.108055  0.643525  0.348557  1
  H  H207  1  0.088392  0.847328  0.399839  1
  H  H208  1  0.264890  0.578760  0.374198  1
  H  H209  1  0.441388  0.310191  0.348557  1
  H  H210  1  0.421726  0.513995  0.399839  1
  H  H211  1  0.598224  0.245426  0.374198  1
  H  H212  1  0.755059  0.180661  0.399839  1
  H  H213  1  0.941388  0.310191  0.348557  1
  H  H214  1  0.921726  0.513995  0.399839  1
  H  H215  1  0.098224  0.245426  0.374198  1
  H  H216  1  0.255059  0.180661  0.399839  1
  H  H217  1  0.699998  0.876392  0.369391  1
  H  H218  1  0.199998  0.876392  0.369391  1
  H  H219  1  0.356833  0.811627  0.395033  1
  H  H220  1  0.533331  0.543059  0.369391  1
  H  H221  1  0.513669  0.746862  0.420674  1
  H  H222  1  0.690167  0.478294  0.395033  1
  H  H223  1  0.856833  0.811627  0.395033  1
  H  H224  1  0.033331  0.543059  0.369391  1
  H  H225  1  0.013669  0.746862  0.420674  1
  H  H226  1  0.190167  0.478294  0.395033  1
  H  H227  1  0.366665  0.209725  0.369391  1
  H  H228  1  0.347002  0.413529  0.420674  1
  H  H229  1  0.523500  0.144960  0.395033  1
  H  H230  1  0.680335  0.080196  0.420674  1
  H  H231  1  0.866665  0.209725  0.369391  1
  H  H232  1  0.847002  0.413529  0.420674  1
  H  H233  1  0.023500  0.144960  0.395033  1
  H  H234  1  0.180335  0.080196  0.420674  1
  H  H235  1  0.785425  0.771359  0.363931  1
  H  H236  1  0.285425  0.771359  0.363931  1
  H  H237  1  0.442260  0.706594  0.389572  1
  H  H238  1  0.618758  0.438026  0.363931  1
  H  H239  1  0.599095  0.641829  0.415213  1
  H  H240  1  0.775594  0.373261  0.389572  1
  H  H241  1  0.942260  0.706594  0.389572  1
  H  H242  1  0.118758  0.438026  0.363931  1
  H  H243  1  0.099095  0.641829  0.415213  1
  H  H244  1  0.275594  0.373261  0.389572  1
  H  H245  1  0.452092  0.104692  0.363931  1
  H  H246  1  0.432429  0.308496  0.415213  1
  H  H247  1  0.608927  0.039927  0.389572  1
  H  H248  1  0.765762  0.975163  0.415213  1
  H  H249  1  0.952092  0.104692  0.363931  1
  H  H250  1  0.932429  0.308496  0.415213  1
  H  H251  1  0.108927  0.039927  0.389572  1
  H  H252  1  0.265762  0.975163  0.415213  1
  H  H253  1  0.752965  0.952361  0.405299  1
  H  H254  1  0.252965  0.952361  0.405299  1
  H  H255  1  0.439295  0.081891  0.354017  1
  H  H256  1  0.586299  0.619028  0.405299  1
  H  H257  1  0.596130  0.017126  0.379658  1
  H  H258  1  0.772628  0.748558  0.354017  1
  H  H259  1  0.939295  0.081891  0.354017  1
  H  H260  1  0.086299  0.619028  0.405299  1
  H  H261  1  0.096130  0.017126  0.379658  1
  H  H262  1  0.272628  0.748558  0.354017  1
  H  H263  1  0.419632  0.285695  0.405299  1
  H  H264  1  0.429463  0.683793  0.379658  1
  H  H265  1  0.605962  0.415224  0.354017  1
  H  H266  1  0.762797  0.350459  0.379658  1
  H  H267  1  0.919632  0.285695  0.405299  1
  H  H268  1  0.929463  0.683793  0.379658  1
  H  H269  1  0.105962  0.415224  0.354017  1
  H  H270  1  0.262797  0.350459  0.379658  1
  H  H271  1  0.838392  0.847328  0.399839  1
  H  H272  1  0.338392  0.847328  0.399839  1
  H  H273  1  0.524722  0.976858  0.348557  1
  H  H274  1  0.671726  0.513995  0.399839  1
  H  H275  1  0.681557  0.912093  0.374198  1
  H  H276  1  0.858055  0.643525  0.348557  1
  H  H277  1  0.024722  0.976858  0.348557  1
  H  H278  1  0.171726  0.513995  0.399839  1
  H  H279  1  0.181557  0.912093  0.374198  1
  H  H280  1  0.358055  0.643525  0.348557  1
  H  H281  1  0.505059  0.180661  0.399839  1
  H  H282  1  0.514890  0.578760  0.374198  1
  H  H283  1  0.691388  0.310191  0.348557  1
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  H  H862  1  0.896913  0.801581  0.681891  1
  H  H863  1  0.073411  0.533013  0.656250  1
  H  H864  1  0.230247  0.468248  0.681891  1
