# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.74822302
_cell_length_b   15.02591027
_cell_length_c   46.90514326
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   47.41396790
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H432
_cell_volume   10766.5013069
_cell_formula_units_Z   216
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  0.635758  0.753766  0.277808  1
  H  H2  1  0.302424  0.753766  0.277808  1
  H  H3  1  0.615990  0.460770  0.303449  1
  H  H4  1  0.969091  0.753766  0.277808  1
  H  H5  1  0.282656  0.460770  0.303449  1
  H  H6  1  0.596222  0.167773  0.329090  1
  H  H7  1  0.949323  0.460770  0.303449  1
  H  H8  1  0.262889  0.167773  0.329090  1
  H  H9  1  0.929555  0.167773  0.329090  1
  H  H10  1  0.440812  0.978138  0.314489  1
  H  H11  1  0.107478  0.978138  0.314489  1
  H  H12  1  0.421044  0.685142  0.340130  1
  H  H13  1  0.774145  0.978138  0.314489  1
  H  H14  1  0.087710  0.685142  0.340130  1
  H  H15  1  0.460579  0.271134  0.288848  1
  H  H16  1  0.754377  0.685142  0.340130  1
  H  H17  1  0.127246  0.271134  0.288848  1
  H  H18  1  0.793913  0.271134  0.288848  1
  H  H19  1  0.731661  0.696952  0.326536  1
  H  H20  1  0.398328  0.696952  0.326536  1
  H  H21  1  0.771197  0.282945  0.275254  1
  H  H22  1  0.064995  0.696952  0.326536  1
  H  H23  1  0.437864  0.282945  0.275254  1
  H  H24  1  0.751429  0.989949  0.300895  1
  H  H25  1  0.104530  0.282945  0.275254  1
  H  H26  1  0.418096  0.989949  0.300895  1
  H  H27  1  0.084762  0.989949  0.300895  1
  H  H28  1  0.596019  0.800313  0.286295  1
  H  H29  1  0.262685  0.800313  0.286295  1
  H  H30  1  0.576251  0.507317  0.311936  1
  H  H31  1  0.929352  0.800313  0.286295  1
  H  H32  1  0.242918  0.507317  0.311936  1
  H  H33  1  0.556483  0.214320  0.337577  1
  H  H34  1  0.909584  0.507317  0.311936  1
  H  H35  1  0.223150  0.214320  0.337577  1
  H  H36  1  0.889816  0.214320  0.337577  1
  H  H37  1  0.429555  0.167773  0.329090  1
  H  H38  1  0.096222  0.167773  0.329090  1
  H  H39  1  0.469091  0.753766  0.277808  1
  H  H40  1  0.762889  0.167773  0.329090  1
  H  H41  1  0.135758  0.753766  0.277808  1
  H  H42  1  0.449323  0.460770  0.303449  1
  H  H43  1  0.802424  0.753766  0.277808  1
  H  H44  1  0.115990  0.460770  0.303449  1
  H  H45  1  0.782656  0.460770  0.303449  1
  H  H46  1  0.607478  0.978138  0.314489  1
  H  H47  1  0.274145  0.978138  0.314489  1
  H  H48  1  0.587710  0.685142  0.340130  1
  H  H49  1  0.940812  0.978138  0.314489  1
  H  H50  1  0.254377  0.685142  0.340130  1
  H  H51  1  0.627246  0.271134  0.288848  1
  H  H52  1  0.921044  0.685142  0.340130  1
  H  H53  1  0.293913  0.271134  0.288848  1
  H  H54  1  0.960579  0.271134  0.288848  1
  H  H55  1  0.584762  0.989949  0.300895  1
  H  H56  1  0.251429  0.989949  0.300895  1
  H  H57  1  0.564995  0.696952  0.326536  1
  H  H58  1  0.918096  0.989949  0.300895  1
  H  H59  1  0.231661  0.696952  0.326536  1
  H  H60  1  0.604530  0.282945  0.275254  1
  H  H61  1  0.898328  0.696952  0.326536  1
  H  H62  1  0.271197  0.282945  0.275254  1
  H  H63  1  0.937864  0.282945  0.275254  1
  H  H64  1  0.762685  0.800313  0.286295  1
  H  H65  1  0.429352  0.800313  0.286295  1
  H  H66  1  0.742918  0.507317  0.311936  1
  H  H67  1  0.096019  0.800313  0.286295  1
  H  H68  1  0.409584  0.507317  0.311936  1
  H  H69  1  0.723150  0.214320  0.337577  1
  H  H70  1  0.076251  0.507317  0.311936  1
  H  H71  1  0.389816  0.214320  0.337577  1
  H  H72  1  0.056483  0.214320  0.337577  1
  H  H73  1  0.576454  0.874777  0.354731  1
  H  H74  1  0.243121  0.874777  0.354731  1
  H  H75  1  0.556687  0.581781  0.380372  1
  H  H76  1  0.909788  0.874777  0.354731  1
  H  H77  1  0.223353  0.581781  0.380372  1
  H  H78  1  0.536919  0.288784  0.406013  1
  H  H79  1  0.890020  0.581781  0.380372  1
  H  H80  1  0.203585  0.288784  0.406013  1
  H  H81  1  0.870252  0.288784  0.406013  1
  H  H82  1  0.381508  0.099149  0.391412  1
  H  H83  1  0.048175  0.099149  0.391412  1
  H  H84  1  0.361741  0.806152  0.417053  1
  H  H85  1  0.714842  0.099149  0.391412  1
  H  H86  1  0.028407  0.806152  0.417053  1
  H  H87  1  0.401276  0.392145  0.365771  1
  H  H88  1  0.695074  0.806152  0.417053  1
  H  H89  1  0.067943  0.392145  0.365771  1
  H  H90  1  0.734609  0.392145  0.365771  1
  H  H91  1  0.672358  0.817963  0.403459  1
  H  H92  1  0.339025  0.817963  0.403459  1
  H  H93  1  0.711894  0.403956  0.352177  1
  H  H94  1  0.005692  0.817963  0.403459  1
  H  H95  1  0.378560  0.403956  0.352177  1
  H  H96  1  0.692126  0.110959  0.377818  1
  H  H97  1  0.045227  0.403956  0.352177  1
  H  H98  1  0.358793  0.110959  0.377818  1
  H  H99  1  0.025459  0.110959  0.377818  1
  H  H100  1  0.536715  0.921324  0.363218  1
  H  H101  1  0.203382  0.921324  0.363218  1
  H  H102  1  0.516948  0.628328  0.388859  1
  H  H103  1  0.870049  0.921324  0.363218  1
  H  H104  1  0.183614  0.628328  0.388859  1
  H  H105  1  0.497180  0.335331  0.414500  1
  H  H106  1  0.850281  0.628328  0.388859  1
  H  H107  1  0.163847  0.335331  0.414500  1
  H  H108  1  0.830513  0.335331  0.414500  1
  H  H109  1  0.370252  0.288784  0.406013  1
  H  H110  1  0.036919  0.288784  0.406013  1
  H  H111  1  0.409788  0.874777  0.354731  1
  H  H112  1  0.703585  0.288784  0.406013  1
  H  H113  1  0.076454  0.874777  0.354731  1
  H  H114  1  0.390020  0.581781  0.380372  1
  H  H115  1  0.743121  0.874777  0.354731  1
  H  H116  1  0.056687  0.581781  0.380372  1
  H  H117  1  0.723353  0.581781  0.380372  1
  H  H118  1  0.548175  0.099149  0.391412  1
  H  H119  1  0.214842  0.099149  0.391412  1
  H  H120  1  0.528407  0.806152  0.417053  1
  H  H121  1  0.881508  0.099149  0.391412  1
  H  H122  1  0.195074  0.806152  0.417053  1
  H  H123  1  0.567943  0.392145  0.365771  1
  H  H124  1  0.861741  0.806152  0.417053  1
  H  H125  1  0.234609  0.392145  0.365771  1
  H  H126  1  0.901276  0.392145  0.365771  1
  H  H127  1  0.525459  0.110959  0.377818  1
  H  H128  1  0.192126  0.110959  0.377818  1
  H  H129  1  0.505692  0.817963  0.403459  1
  H  H130  1  0.858793  0.110959  0.377818  1
  H  H131  1  0.172358  0.817963  0.403459  1
  H  H132  1  0.545227  0.403956  0.352177  1
  H  H133  1  0.839025  0.817963  0.403459  1
  H  H134  1  0.211894  0.403956  0.352177  1
  H  H135  1  0.878560  0.403956  0.352177  1
  H  H136  1  0.703382  0.921324  0.363218  1
  H  H137  1  0.370049  0.921324  0.363218  1
  H  H138  1  0.683614  0.628328  0.388859  1
  H  H139  1  0.036715  0.921324  0.363218  1
  H  H140  1  0.350281  0.628328  0.388859  1
  H  H141  1  0.663847  0.335331  0.414500  1
  H  H142  1  0.016948  0.628328  0.388859  1
  H  H143  1  0.330513  0.335331  0.414500  1
  H  H144  1  0.997180  0.335331  0.414500  1
  H  H145  1  0.517151  0.995788  0.431654  1
  H  H146  1  0.183818  0.995788  0.431654  1
  H  H147  1  0.497383  0.702791  0.457295  1
  H  H148  1  0.850484  0.995788  0.431654  1
  H  H149  1  0.164050  0.702791  0.457295  1
  H  H150  1  0.477616  0.409795  0.482936  1
  H  H151  1  0.830717  0.702791  0.457295  1
  H  H152  1  0.144282  0.409795  0.482936  1
  H  H153  1  0.810949  0.409795  0.482936  1
  H  H154  1  0.322205  0.220160  0.468335  1
  H  H155  1  0.988872  0.220160  0.468335  1
  H  H156  1  0.302437  0.927163  0.493976  1
  H  H157  1  0.655538  0.220160  0.468335  1
  H  H158  1  0.969104  0.927163  0.493976  1
  H  H159  1  0.341973  0.513156  0.442694  1
  H  H160  1  0.635771  0.927163  0.493976  1
  H  H161  1  0.008640  0.513156  0.442694  1
  H  H162  1  0.675306  0.513156  0.442694  1
  H  H163  1  0.613055  0.938974  0.480382  1
  H  H164  1  0.279722  0.938974  0.480382  1
  H  H165  1  0.652590  0.524967  0.429100  1
  H  H166  1  0.946388  0.938974  0.480382  1
  H  H167  1  0.319257  0.524967  0.429100  1
  H  H168  1  0.632823  0.231970  0.454741  1
  H  H169  1  0.985924  0.524967  0.429100  1
  H  H170  1  0.299489  0.231970  0.454741  1
  H  H171  1  0.966156  0.231970  0.454741  1
  H  H172  1  0.477412  0.042335  0.440141  1
  H  H173  1  0.144079  0.042335  0.440141  1
  H  H174  1  0.457644  0.749338  0.465782  1
  H  H175  1  0.810746  0.042335  0.440141  1
  H  H176  1  0.124311  0.749338  0.465782  1
  H  H177  1  0.437877  0.456342  0.491423  1
  H  H178  1  0.790978  0.749338  0.465782  1
  H  H179  1  0.104543  0.456342  0.491423  1
  H  H180  1  0.771210  0.456342  0.491423  1
  H  H181  1  0.310949  0.409795  0.482936  1
  H  H182  1  0.977616  0.409795  0.482936  1
  H  H183  1  0.350484  0.995788  0.431654  1
  H  H184  1  0.644282  0.409795  0.482936  1
  H  H185  1  0.017151  0.995788  0.431654  1
  H  H186  1  0.330717  0.702791  0.457295  1
  H  H187  1  0.683818  0.995788  0.431654  1
  H  H188  1  0.997383  0.702791  0.457295  1
  H  H189  1  0.664050  0.702791  0.457295  1
  H  H190  1  0.488872  0.220160  0.468335  1
  H  H191  1  0.155538  0.220160  0.468335  1
  H  H192  1  0.469104  0.927163  0.493976  1
  H  H193  1  0.822205  0.220160  0.468335  1
  H  H194  1  0.135771  0.927163  0.493976  1
  H  H195  1  0.508640  0.513156  0.442694  1
  H  H196  1  0.802437  0.927163  0.493976  1
  H  H197  1  0.175306  0.513156  0.442694  1
  H  H198  1  0.841973  0.513156  0.442694  1
  H  H199  1  0.466156  0.231970  0.454741  1
  H  H200  1  0.132823  0.231970  0.454741  1
  H  H201  1  0.446388  0.938974  0.480382  1
  H  H202  1  0.799489  0.231970  0.454741  1
  H  H203  1  0.113055  0.938974  0.480382  1
  H  H204  1  0.485924  0.524967  0.429100  1
  H  H205  1  0.779722  0.938974  0.480382  1
  H  H206  1  0.152590  0.524967  0.429100  1
  H  H207  1  0.819257  0.524967  0.429100  1
  H  H208  1  0.644079  0.042335  0.440141  1
  H  H209  1  0.310746  0.042335  0.440141  1
  H  H210  1  0.624311  0.749338  0.465782  1
  H  H211  1  0.977412  0.042335  0.440141  1
  H  H212  1  0.290978  0.749338  0.465782  1
  H  H213  1  0.604543  0.456342  0.491423  1
  H  H214  1  0.957644  0.749338  0.465782  1
  H  H215  1  0.271210  0.456342  0.491423  1
  H  H216  1  0.937877  0.456342  0.491423  1
  H  H217  1  0.457848  0.116799  0.508577  1
  H  H218  1  0.124515  0.116799  0.508577  1
  H  H219  1  0.438080  0.823802  0.534218  1
  H  H220  1  0.791181  0.116799  0.508577  1
  H  H221  1  0.104747  0.823802  0.534218  1
  H  H222  1  0.418312  0.530806  0.559859  1
  H  H223  1  0.771413  0.823802  0.534218  1
  H  H224  1  0.084979  0.530806  0.559859  1
  H  H225  1  0.751646  0.530806  0.559859  1
  H  H226  1  0.262902  0.341170  0.545259  1
  H  H227  1  0.929569  0.341170  0.545259  1
  H  H228  1  0.243134  0.048174  0.570900  1
  H  H229  1  0.596235  0.341170  0.545259  1
  H  H230  1  0.909801  0.048174  0.570900  1
  H  H231  1  0.282670  0.634167  0.519618  1
  H  H232  1  0.576468  0.048174  0.570900  1
  H  H233  1  0.949336  0.634167  0.519618  1
  H  H234  1  0.616003  0.634167  0.519618  1
  H  H235  1  0.553752  0.059985  0.557306  1
  H  H236  1  0.220418  0.059985  0.557306  1
  H  H237  1  0.593287  0.645977  0.506024  1
  H  H238  1  0.887085  0.059985  0.557306  1
  H  H239  1  0.259954  0.645977  0.506024  1
  H  H240  1  0.573519  0.352981  0.531665  1
  H  H241  1  0.926621  0.645977  0.506024  1
  H  H242  1  0.240186  0.352981  0.531665  1
  H  H243  1  0.906853  0.352981  0.531665  1
  H  H244  1  0.418109  0.163346  0.517064  1
  H  H245  1  0.084776  0.163346  0.517064  1
  H  H246  1  0.398341  0.870349  0.542705  1
  H  H247  1  0.751442  0.163346  0.517064  1
  H  H248  1  0.065008  0.870349  0.542705  1
  H  H249  1  0.378574  0.577353  0.568346  1
  H  H250  1  0.731675  0.870349  0.542705  1
  H  H251  1  0.045240  0.577353  0.568346  1
  H  H252  1  0.711907  0.577353  0.568346  1
  H  H253  1  0.251646  0.530806  0.559859  1
  H  H254  1  0.918312  0.530806  0.559859  1
  H  H255  1  0.291181  0.116799  0.508577  1
  H  H256  1  0.584979  0.530806  0.559859  1
  H  H257  1  0.957848  0.116799  0.508577  1
  H  H258  1  0.271413  0.823802  0.534218  1
  H  H259  1  0.624515  0.116799  0.508577  1
  H  H260  1  0.938080  0.823802  0.534218  1
  H  H261  1  0.604747  0.823802  0.534218  1
  H  H262  1  0.429569  0.341170  0.545259  1
  H  H263  1  0.096235  0.341170  0.545259  1
  H  H264  1  0.409801  0.048174  0.570900  1
  H  H265  1  0.762902  0.341170  0.545259  1
  H  H266  1  0.076468  0.048174  0.570900  1
  H  H267  1  0.449336  0.634167  0.519618  1
  H  H268  1  0.743134  0.048174  0.570900  1
  H  H269  1  0.116003  0.634167  0.519618  1
  H  H270  1  0.782670  0.634167  0.519618  1
  H  H271  1  0.406853  0.352981  0.531665  1
  H  H272  1  0.073519  0.352981  0.531665  1
  H  H273  1  0.387085  0.059985  0.557306  1
  H  H274  1  0.740186  0.352981  0.531665  1
  H  H275  1  0.053752  0.059985  0.557306  1
  H  H276  1  0.426621  0.645977  0.506024  1
  H  H277  1  0.720418  0.059985  0.557306  1
  H  H278  1  0.093287  0.645977  0.506024  1
  H  H279  1  0.759954  0.645977  0.506024  1
  H  H280  1  0.584776  0.163346  0.517064  1
  H  H281  1  0.251442  0.163346  0.517064  1
  H  H282  1  0.565008  0.870349  0.542705  1
  H  H283  1  0.918109  0.163346  0.517064  1
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  H  H432  1  0.759967  0.819375  0.722192  1
