# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   29.89704279
_cell_length_b   15.09103207
_cell_length_c   48.31910120
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.65761284
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H504
_cell_volume   20016.1856221
_cell_formula_units_Z   252
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  0.796077  0.186282  0.295470  1
  H  H2  1  0.462744  0.186282  0.295470  1
  H  H3  1  0.620908  0.062127  0.316303  1
  H  H4  1  0.779072  0.937973  0.337136  1
  H  H5  1  0.129410  0.186282  0.295470  1
  H  H6  1  0.287575  0.062127  0.316303  1
  H  H7  1  0.445739  0.937973  0.337136  1
  H  H8  1  0.629410  0.686282  0.295470  1
  H  H9  1  0.787575  0.562127  0.316303  1
  H  H10  1  0.954241  0.062127  0.316303  1
  H  H11  1  0.112405  0.937973  0.337136  1
  H  H12  1  0.296077  0.686282  0.295470  1
  H  H13  1  0.454241  0.562127  0.316303  1
  H  H14  1  0.612405  0.437973  0.337136  1
  H  H15  1  0.962744  0.686282  0.295470  1
  H  H16  1  0.120908  0.562127  0.316303  1
  H  H17  1  0.279072  0.437973  0.337136  1
  H  H18  1  0.945739  0.437973  0.337136  1
  H  H19  1  0.707352  0.463240  0.308681  1
  H  H20  1  0.374019  0.463240  0.308681  1
  H  H21  1  0.532183  0.339085  0.329514  1
  H  H22  1  0.715855  0.087394  0.287847  1
  H  H23  1  0.040685  0.463240  0.308681  1
  H  H24  1  0.198850  0.339085  0.329514  1
  H  H25  1  0.382521  0.087394  0.287847  1
  H  H26  1  0.540685  0.963240  0.308681  1
  H  H27  1  0.698850  0.839085  0.329514  1
  H  H28  1  0.865516  0.339085  0.329514  1
  H  H29  1  0.049188  0.087394  0.287847  1
  H  H30  1  0.207352  0.963240  0.308681  1
  H  H31  1  0.365516  0.839085  0.329514  1
  H  H32  1  0.549188  0.587394  0.287847  1
  H  H33  1  0.874019  0.963240  0.308681  1
  H  H34  1  0.032183  0.839085  0.329514  1
  H  H35  1  0.215855  0.587394  0.287847  1
  H  H36  1  0.882521  0.587394  0.287847  1
  H  H37  1  0.712744  0.436282  0.295470  1
  H  H38  1  0.379410  0.436282  0.295470  1
  H  H39  1  0.537575  0.312127  0.316303  1
  H  H40  1  0.695739  0.187973  0.337136  1
  H  H41  1  0.046077  0.436282  0.295470  1
  H  H42  1  0.204241  0.312127  0.316303  1
  H  H43  1  0.362405  0.187973  0.337136  1
  H  H44  1  0.546077  0.936282  0.295470  1
  H  H45  1  0.704241  0.812127  0.316303  1
  H  H46  1  0.870908  0.312127  0.316303  1
  H  H47  1  0.029072  0.187973  0.337136  1
  H  H48  1  0.212744  0.936282  0.295470  1
  H  H49  1  0.370908  0.812127  0.316303  1
  H  H50  1  0.529072  0.687973  0.337136  1
  H  H51  1  0.879410  0.936282  0.295470  1
  H  H52  1  0.037575  0.812127  0.316303  1
  H  H53  1  0.195739  0.687973  0.337136  1
  H  H54  1  0.862405  0.687973  0.337136  1
  H  H55  1  0.790685  0.213240  0.308681  1
  H  H56  1  0.457352  0.213240  0.308681  1
  H  H57  1  0.615516  0.089085  0.329514  1
  H  H58  1  0.799188  0.837394  0.287847  1
  H  H59  1  0.124019  0.213240  0.308681  1
  H  H60  1  0.282183  0.089085  0.329514  1
  H  H61  1  0.465855  0.837394  0.287847  1
  H  H62  1  0.624019  0.713240  0.308681  1
  H  H63  1  0.782183  0.589085  0.329514  1
  H  H64  1  0.948850  0.089085  0.329514  1
  H  H65  1  0.132521  0.837394  0.287847  1
  H  H66  1  0.290685  0.713240  0.308681  1
  H  H67  1  0.448850  0.589085  0.329514  1
  H  H68  1  0.632521  0.337394  0.287847  1
  H  H69  1  0.957352  0.713240  0.308681  1
  H  H70  1  0.115516  0.589085  0.329514  1
  H  H71  1  0.299188  0.337394  0.287847  1
  H  H72  1  0.965855  0.337394  0.287847  1
  H  H73  1  0.770570  0.313819  0.357970  1
  H  H74  1  0.437236  0.313819  0.357970  1
  H  H75  1  0.595400  0.189665  0.378803  1
  H  H76  1  0.753565  0.065510  0.399636  1
  H  H77  1  0.103903  0.313819  0.357970  1
  H  H78  1  0.262067  0.189665  0.378803  1
  H  H79  1  0.420231  0.065510  0.399636  1
  H  H80  1  0.603903  0.813819  0.357970  1
  H  H81  1  0.762067  0.689665  0.378803  1
  H  H82  1  0.928734  0.189665  0.378803  1
  H  H83  1  0.086898  0.065510  0.399636  1
  H  H84  1  0.270570  0.813819  0.357970  1
  H  H85  1  0.428734  0.689665  0.378803  1
  H  H86  1  0.586898  0.565510  0.399636  1
  H  H87  1  0.937236  0.813819  0.357970  1
  H  H88  1  0.095400  0.689665  0.378803  1
  H  H89  1  0.253565  0.565510  0.399636  1
  H  H90  1  0.920231  0.565510  0.399636  1
  H  H91  1  0.681845  0.590777  0.371181  1
  H  H92  1  0.348511  0.590777  0.371181  1
  H  H93  1  0.506675  0.466623  0.392014  1
  H  H94  1  0.690347  0.214931  0.350347  1
  H  H95  1  0.015178  0.590777  0.371181  1
  H  H96  1  0.173342  0.466623  0.392014  1
  H  H97  1  0.357014  0.214931  0.350347  1
  H  H98  1  0.515178  0.090777  0.371181  1
  H  H99  1  0.673342  0.966623  0.392014  1
  H  H100  1  0.840009  0.466623  0.392014  1
  H  H101  1  0.023680  0.214931  0.350347  1
  H  H102  1  0.181845  0.090777  0.371181  1
  H  H103  1  0.340009  0.966623  0.392014  1
  H  H104  1  0.523680  0.714931  0.350347  1
  H  H105  1  0.848511  0.090777  0.371181  1
  H  H106  1  0.006675  0.966623  0.392014  1
  H  H107  1  0.190347  0.714931  0.350347  1
  H  H108  1  0.857014  0.714931  0.350347  1
  H  H109  1  0.687236  0.563819  0.357970  1
  H  H110  1  0.353903  0.563819  0.357970  1
  H  H111  1  0.512067  0.439665  0.378803  1
  H  H112  1  0.670231  0.315510  0.399636  1
  H  H113  1  0.020570  0.563819  0.357970  1
  H  H114  1  0.178734  0.439665  0.378803  1
  H  H115  1  0.336898  0.315510  0.399636  1
  H  H116  1  0.520570  0.063819  0.357970  1
  H  H117  1  0.678734  0.939665  0.378803  1
  H  H118  1  0.845400  0.439665  0.378803  1
  H  H119  1  0.003565  0.315510  0.399636  1
  H  H120  1  0.187236  0.063819  0.357970  1
  H  H121  1  0.345400  0.939665  0.378803  1
  H  H122  1  0.503565  0.815510  0.399636  1
  H  H123  1  0.853903  0.063819  0.357970  1
  H  H124  1  0.012067  0.939665  0.378803  1
  H  H125  1  0.170231  0.815510  0.399636  1
  H  H126  1  0.836898  0.815510  0.399636  1
  H  H127  1  0.765178  0.340777  0.371181  1
  H  H128  1  0.431845  0.340777  0.371181  1
  H  H129  1  0.590009  0.216623  0.392014  1
  H  H130  1  0.773680  0.964931  0.350347  1
  H  H131  1  0.098511  0.340777  0.371181  1
  H  H132  1  0.256675  0.216623  0.392014  1
  H  H133  1  0.440347  0.964931  0.350347  1
  H  H134  1  0.598511  0.840777  0.371181  1
  H  H135  1  0.756675  0.716623  0.392014  1
  H  H136  1  0.923342  0.216623  0.392014  1
  H  H137  1  0.107014  0.964931  0.350347  1
  H  H138  1  0.265178  0.840777  0.371181  1
  H  H139  1  0.423342  0.716623  0.392014  1
  H  H140  1  0.607014  0.464931  0.350347  1
  H  H141  1  0.931845  0.840777  0.371181  1
  H  H142  1  0.090009  0.716623  0.392014  1
  H  H143  1  0.273680  0.464931  0.350347  1
  H  H144  1  0.940347  0.464931  0.350347  1
  H  H145  1  0.745062  0.441356  0.420470  1
  H  H146  1  0.411729  0.441356  0.420470  1
  H  H147  1  0.569893  0.317202  0.441303  1
  H  H148  1  0.728057  0.193048  0.462136  1
  H  H149  1  0.078395  0.441356  0.420470  1
  H  H150  1  0.236560  0.317202  0.441303  1
  H  H151  1  0.394724  0.193048  0.462136  1
  H  H152  1  0.578395  0.941356  0.420470  1
  H  H153  1  0.736560  0.817202  0.441303  1
  H  H154  1  0.903226  0.317202  0.441303  1
  H  H155  1  0.061390  0.193048  0.462136  1
  H  H156  1  0.245062  0.941356  0.420470  1
  H  H157  1  0.403226  0.817202  0.441303  1
  H  H158  1  0.561390  0.693048  0.462136  1
  H  H159  1  0.911729  0.941356  0.420470  1
  H  H160  1  0.069893  0.817202  0.441303  1
  H  H161  1  0.228057  0.693048  0.462136  1
  H  H162  1  0.894724  0.693048  0.462136  1
  H  H163  1  0.656337  0.718314  0.433681  1
  H  H164  1  0.323004  0.718314  0.433681  1
  H  H165  1  0.481168  0.594160  0.454514  1
  H  H166  1  0.664840  0.342468  0.412847  1
  H  H167  1  0.989670  0.718314  0.433681  1
  H  H168  1  0.147835  0.594160  0.454514  1
  H  H169  1  0.331506  0.342468  0.412847  1
  H  H170  1  0.489670  0.218314  0.433681  1
  H  H171  1  0.647835  0.094160  0.454514  1
  H  H172  1  0.814501  0.594160  0.454514  1
  H  H173  1  0.998173  0.342468  0.412847  1
  H  H174  1  0.156337  0.218314  0.433681  1
  H  H175  1  0.314501  0.094160  0.454514  1
  H  H176  1  0.498173  0.842468  0.412847  1
  H  H177  1  0.823004  0.218314  0.433681  1
  H  H178  1  0.981168  0.094160  0.454514  1
  H  H179  1  0.164840  0.842468  0.412847  1
  H  H180  1  0.831506  0.842468  0.412847  1
  H  H181  1  0.661729  0.691356  0.420470  1
  H  H182  1  0.328395  0.691356  0.420470  1
  H  H183  1  0.486560  0.567202  0.441303  1
  H  H184  1  0.644724  0.443048  0.462136  1
  H  H185  1  0.995062  0.691356  0.420470  1
  H  H186  1  0.153226  0.567202  0.441303  1
  H  H187  1  0.311390  0.443048  0.462136  1
  H  H188  1  0.495062  0.191356  0.420470  1
  H  H189  1  0.653226  0.067202  0.441303  1
  H  H190  1  0.819893  0.567202  0.441303  1
  H  H191  1  0.978057  0.443048  0.462136  1
  H  H192  1  0.161729  0.191356  0.420470  1
  H  H193  1  0.319893  0.067202  0.441303  1
  H  H194  1  0.478057  0.943048  0.462136  1
  H  H195  1  0.828395  0.191356  0.420470  1
  H  H196  1  0.986560  0.067202  0.441303  1
  H  H197  1  0.144724  0.943048  0.462136  1
  H  H198  1  0.811390  0.943048  0.462136  1
  H  H199  1  0.739670  0.468314  0.433681  1
  H  H200  1  0.406337  0.468314  0.433681  1
  H  H201  1  0.564501  0.344160  0.454514  1
  H  H202  1  0.748173  0.092468  0.412847  1
  H  H203  1  0.073004  0.468314  0.433681  1
  H  H204  1  0.231168  0.344160  0.454514  1
  H  H205  1  0.414840  0.092468  0.412847  1
  H  H206  1  0.573004  0.968314  0.433681  1
  H  H207  1  0.731168  0.844160  0.454514  1
  H  H208  1  0.897835  0.344160  0.454514  1
  H  H209  1  0.081506  0.092468  0.412847  1
  H  H210  1  0.239670  0.968314  0.433681  1
  H  H211  1  0.397835  0.844160  0.454514  1
  H  H212  1  0.581506  0.592468  0.412847  1
  H  H213  1  0.906337  0.968314  0.433681  1
  H  H214  1  0.064501  0.844160  0.454514  1
  H  H215  1  0.248173  0.592468  0.412847  1
  H  H216  1  0.914840  0.592468  0.412847  1
  H  H217  1  0.719555  0.568893  0.482970  1
  H  H218  1  0.386221  0.568893  0.482970  1
  H  H219  1  0.544386  0.444739  0.503803  1
  H  H220  1  0.702550  0.320585  0.524636  1
  H  H221  1  0.052888  0.568893  0.482970  1
  H  H222  1  0.211052  0.444739  0.503803  1
  H  H223  1  0.369216  0.320585  0.524636  1
  H  H224  1  0.552888  0.068893  0.482970  1
  H  H225  1  0.711052  0.944739  0.503803  1
  H  H226  1  0.877719  0.444739  0.503803  1
  H  H227  1  0.035883  0.320585  0.524636  1
  H  H228  1  0.219555  0.068893  0.482970  1
  H  H229  1  0.377719  0.944739  0.503803  1
  H  H230  1  0.535883  0.820585  0.524636  1
  H  H231  1  0.886221  0.068893  0.482970  1
  H  H232  1  0.044386  0.944739  0.503803  1
  H  H233  1  0.202550  0.820585  0.524636  1
  H  H234  1  0.869216  0.820585  0.524636  1
  H  H235  1  0.630830  0.845851  0.496181  1
  H  H236  1  0.297496  0.845851  0.496181  1
  H  H237  1  0.455661  0.721697  0.517014  1
  H  H238  1  0.639332  0.470006  0.475347  1
  H  H239  1  0.964163  0.845851  0.496181  1
  H  H240  1  0.122327  0.721697  0.517014  1
  H  H241  1  0.305999  0.470006  0.475347  1
  H  H242  1  0.464163  0.345851  0.496181  1
  H  H243  1  0.622327  0.221697  0.517014  1
  H  H244  1  0.788994  0.721697  0.517014  1
  H  H245  1  0.972666  0.470006  0.475347  1
  H  H246  1  0.130830  0.345851  0.496181  1
  H  H247  1  0.288994  0.221697  0.517014  1
  H  H248  1  0.472666  0.970006  0.475347  1
  H  H249  1  0.797496  0.345851  0.496181  1
  H  H250  1  0.955661  0.221697  0.517014  1
  H  H251  1  0.139332  0.970006  0.475347  1
  H  H252  1  0.805999  0.970006  0.475347  1
  H  H253  1  0.636221  0.818893  0.482970  1
  H  H254  1  0.302888  0.818893  0.482970  1
  H  H255  1  0.461052  0.694739  0.503803  1
  H  H256  1  0.619216  0.570585  0.524636  1
  H  H257  1  0.969555  0.818893  0.482970  1
  H  H258  1  0.127719  0.694739  0.503803  1
  H  H259  1  0.285883  0.570585  0.524636  1
  H  H260  1  0.469555  0.318893  0.482970  1
  H  H261  1  0.627719  0.194739  0.503803  1
  H  H262  1  0.794386  0.694739  0.503803  1
  H  H263  1  0.952550  0.570585  0.524636  1
  H  H264  1  0.136221  0.318893  0.482970  1
  H  H265  1  0.294386  0.194739  0.503803  1
  H  H266  1  0.452550  0.070585  0.524636  1
  H  H267  1  0.802888  0.318893  0.482970  1
  H  H268  1  0.961052  0.194739  0.503803  1
  H  H269  1  0.119216  0.070585  0.524636  1
  H  H270  1  0.785883  0.070585  0.524636  1
  H  H271  1  0.714163  0.595851  0.496181  1
  H  H272  1  0.380830  0.595851  0.496181  1
  H  H273  1  0.538994  0.471697  0.517014  1
  H  H274  1  0.722666  0.220006  0.475347  1
  H  H275  1  0.047496  0.595851  0.496181  1
  H  H276  1  0.205661  0.471697  0.517014  1
  H  H277  1  0.389332  0.220006  0.475347  1
  H  H278  1  0.547496  0.095851  0.496181  1
  H  H279  1  0.705661  0.971697  0.517014  1
  H  H280  1  0.872327  0.471697  0.517014  1
  H  H281  1  0.055999  0.220006  0.475347  1
  H  H282  1  0.214163  0.095851  0.496181  1
  H  H283  1  0.372327  0.971697  0.517014  1
  H  H284  1  0.555999  0.720006  0.475347  1
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  H  H503  1  0.146143  0.102617  0.662847  1
  H  H504  1  0.812810  0.102617  0.662847  1
