# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   28.12617074
_cell_length_b   20.60110906
_cell_length_c   48.52492145
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.77840931
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H288
_cell_volume   27130.4058446
_cell_formula_units_Z   144
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  0.497203  0.714544  0.280864  1
  H  H2  1  0.997203  0.714544  0.280864  1
  H  H3  1  0.134381  0.701217  0.299383  1
  H  H4  1  0.330536  0.381210  0.280864  1
  H  H5  1  0.271560  0.687890  0.317901  1
  H  H6  1  0.467715  0.367884  0.299383  1
  H  H7  1  0.634381  0.701217  0.299383  1
  H  H8  1  0.830536  0.381210  0.280864  1
  H  H9  1  0.771560  0.687890  0.317901  1
  H  H10  1  0.967715  0.367884  0.299383  1
  H  H11  1  0.163870  0.047877  0.280864  1
  H  H12  1  0.104893  0.354557  0.317901  1
  H  H13  1  0.301048  0.034550  0.299383  1
  H  H14  1  0.438226  0.021224  0.317901  1
  H  H15  1  0.663870  0.047877  0.280864  1
  H  H16  1  0.604893  0.354557  0.317901  1
  H  H17  1  0.801048  0.034550  0.299383  1
  H  H18  1  0.938226  0.021224  0.317901  1
  H  H19  1  0.363012  0.512339  0.330247  1
  H  H20  1  0.863012  0.512339  0.330247  1
  H  H21  1  0.088655  0.538993  0.293210  1
  H  H22  1  0.196345  0.179006  0.330247  1
  H  H23  1  0.225833  0.525666  0.311728  1
  H  H24  1  0.421989  0.205659  0.293210  1
  H  H25  1  0.588655  0.538993  0.293210  1
  H  H26  1  0.696345  0.179006  0.330247  1
  H  H27  1  0.725833  0.525666  0.311728  1
  H  H28  1  0.921989  0.205659  0.293210  1
  H  H29  1  0.029678  0.845672  0.330247  1
  H  H30  1  0.059167  0.192332  0.311728  1
  H  H31  1  0.255322  0.872326  0.293210  1
  H  H32  1  0.392500  0.858999  0.311728  1
  H  H33  1  0.529678  0.845672  0.330247  1
  H  H34  1  0.559167  0.192332  0.311728  1
  H  H35  1  0.755322  0.872326  0.293210  1
  H  H36  1  0.892500  0.858999  0.311728  1
  H  H37  1  0.408738  0.674563  0.336420  1
  H  H38  1  0.908738  0.674563  0.336420  1
  H  H39  1  0.045916  0.661237  0.354938  1
  H  H40  1  0.242071  0.341230  0.336420  1
  H  H41  1  0.183094  0.647910  0.373457  1
  H  H42  1  0.379249  0.327903  0.354938  1
  H  H43  1  0.545916  0.661237  0.354938  1
  H  H44  1  0.742071  0.341230  0.336420  1
  H  H45  1  0.683094  0.647910  0.373457  1
  H  H46  1  0.879249  0.327903  0.354938  1
  H  H47  1  0.075404  0.007897  0.336420  1
  H  H48  1  0.016428  0.314577  0.373457  1
  H  H49  1  0.212583  0.994570  0.354938  1
  H  H50  1  0.349761  0.981243  0.373457  1
  H  H51  1  0.575404  0.007897  0.336420  1
  H  H52  1  0.516428  0.314577  0.373457  1
  H  H53  1  0.712583  0.994570  0.354938  1
  H  H54  1  0.849761  0.981243  0.373457  1
  H  H55  1  0.274546  0.472359  0.385802  1
  H  H56  1  0.774546  0.472359  0.385802  1
  H  H57  1  0.000190  0.499012  0.348765  1
  H  H58  1  0.107880  0.139025  0.385802  1
  H  H59  1  0.137368  0.485685  0.367284  1
  H  H60  1  0.333523  0.165679  0.348765  1
  H  H61  1  0.500190  0.499012  0.348765  1
  H  H62  1  0.607880  0.139025  0.385802  1
  H  H63  1  0.637368  0.485685  0.367284  1
  H  H64  1  0.833523  0.165679  0.348765  1
  H  H65  1  0.941213  0.805692  0.385802  1
  H  H66  1  0.970702  0.152352  0.367284  1
  H  H67  1  0.166857  0.832346  0.348765  1
  H  H68  1  0.304035  0.819019  0.367284  1
  H  H69  1  0.441213  0.805692  0.385802  1
  H  H70  1  0.470702  0.152352  0.367284  1
  H  H71  1  0.666857  0.832346  0.348765  1
  H  H72  1  0.804035  0.819019  0.367284  1
  H  H73  1  0.320272  0.634583  0.391975  1
  H  H74  1  0.820272  0.634583  0.391975  1
  H  H75  1  0.957451  0.621256  0.410494  1
  H  H76  1  0.153606  0.301250  0.391975  1
  H  H77  1  0.094629  0.607930  0.429012  1
  H  H78  1  0.290784  0.287923  0.410494  1
  H  H79  1  0.457451  0.621256  0.410494  1
  H  H80  1  0.653606  0.301250  0.391975  1
  H  H81  1  0.594629  0.607930  0.429012  1
  H  H82  1  0.790784  0.287923  0.410494  1
  H  H83  1  0.986939  0.967916  0.391975  1
  H  H84  1  0.927962  0.274596  0.429012  1
  H  H85  1  0.124117  0.954590  0.410494  1
  H  H86  1  0.261296  0.941263  0.429012  1
  H  H87  1  0.486939  0.967916  0.391975  1
  H  H88  1  0.427962  0.274596  0.429012  1
  H  H89  1  0.624117  0.954590  0.410494  1
  H  H90  1  0.761296  0.941263  0.429012  1
  H  H91  1  0.186081  0.432378  0.441358  1
  H  H92  1  0.686081  0.432378  0.441358  1
  H  H93  1  0.911725  0.459032  0.404321  1
  H  H94  1  0.019414  0.099045  0.441358  1
  H  H95  1  0.048903  0.445705  0.422840  1
  H  H96  1  0.245058  0.125699  0.404321  1
  H  H97  1  0.411725  0.459032  0.404321  1
  H  H98  1  0.519414  0.099045  0.441358  1
  H  H99  1  0.548903  0.445705  0.422840  1
  H  H100  1  0.745058  0.125699  0.404321  1
  H  H101  1  0.852748  0.765712  0.441358  1
  H  H102  1  0.882236  0.112372  0.422840  1
  H  H103  1  0.078391  0.792365  0.404321  1
  H  H104  1  0.215570  0.779038  0.422840  1
  H  H105  1  0.352748  0.765712  0.441358  1
  H  H106  1  0.382236  0.112372  0.422840  1
  H  H107  1  0.578391  0.792365  0.404321  1
  H  H108  1  0.715570  0.779038  0.422840  1
  H  H109  1  0.231807  0.594603  0.447531  1
  H  H110  1  0.731807  0.594603  0.447531  1
  H  H111  1  0.868985  0.581276  0.466049  1
  H  H112  1  0.065141  0.261269  0.447531  1
  H  H113  1  0.006164  0.567949  0.484568  1
  H  H114  1  0.202319  0.247943  0.466049  1
  H  H115  1  0.368985  0.581276  0.466049  1
  H  H116  1  0.565141  0.261269  0.447531  1
  H  H117  1  0.506164  0.567949  0.484568  1
  H  H118  1  0.702319  0.247943  0.466049  1
  H  H119  1  0.898474  0.927936  0.447531  1
  H  H120  1  0.839497  0.234616  0.484568  1
  H  H121  1  0.035652  0.914609  0.466049  1
  H  H122  1  0.172830  0.901282  0.484568  1
  H  H123  1  0.398474  0.927936  0.447531  1
  H  H124  1  0.339497  0.234616  0.484568  1
  H  H125  1  0.535652  0.914609  0.466049  1
  H  H126  1  0.672830  0.901282  0.484568  1
  H  H127  1  0.097616  0.392398  0.496914  1
  H  H128  1  0.597616  0.392398  0.496914  1
  H  H129  1  0.823259  0.419052  0.459877  1
  H  H130  1  0.930949  0.059065  0.496914  1
  H  H131  1  0.960438  0.405725  0.478395  1
  H  H132  1  0.156593  0.085718  0.459877  1
  H  H133  1  0.323259  0.419052  0.459877  1
  H  H134  1  0.430949  0.059065  0.496914  1
  H  H135  1  0.460438  0.405725  0.478395  1
  H  H136  1  0.656593  0.085718  0.459877  1
  H  H137  1  0.764282  0.725731  0.496914  1
  H  H138  1  0.793771  0.072391  0.478395  1
  H  H139  1  0.989926  0.752385  0.459877  1
  H  H140  1  0.127104  0.739058  0.478395  1
  H  H141  1  0.264282  0.725731  0.496914  1
  H  H142  1  0.293771  0.072391  0.478395  1
  H  H143  1  0.489926  0.752385  0.459877  1
  H  H144  1  0.627104  0.739058  0.478395  1
  H  H145  1  0.143342  0.554622  0.503086  1
  H  H146  1  0.643342  0.554622  0.503086  1
  H  H147  1  0.780520  0.541296  0.521605  1
  H  H148  1  0.976675  0.221289  0.503086  1
  H  H149  1  0.917698  0.527969  0.540123  1
  H  H150  1  0.113853  0.207962  0.521605  1
  H  H151  1  0.280520  0.541296  0.521605  1
  H  H152  1  0.476675  0.221289  0.503086  1
  H  H153  1  0.417698  0.527969  0.540123  1
  H  H154  1  0.613853  0.207962  0.521605  1
  H  H155  1  0.810009  0.887956  0.503086  1
  H  H156  1  0.751032  0.194635  0.540123  1
  H  H157  1  0.947187  0.874629  0.521605  1
  H  H158  1  0.084365  0.861302  0.540123  1
  H  H159  1  0.310009  0.887956  0.503086  1
  H  H160  1  0.251032  0.194635  0.540123  1
  H  H161  1  0.447187  0.874629  0.521605  1
  H  H162  1  0.584365  0.861302  0.540123  1
  H  H163  1  0.009150  0.352418  0.552469  1
  H  H164  1  0.509150  0.352418  0.552469  1
  H  H165  1  0.734794  0.379071  0.515432  1
  H  H166  1  0.842484  0.019084  0.552469  1
  H  H167  1  0.871972  0.365744  0.533951  1
  H  H168  1  0.068127  0.045738  0.515432  1
  H  H169  1  0.234794  0.379071  0.515432  1
  H  H170  1  0.342484  0.019084  0.552469  1
  H  H171  1  0.371972  0.365744  0.533951  1
  H  H172  1  0.568127  0.045738  0.515432  1
  H  H173  1  0.675817  0.685751  0.552469  1
  H  H174  1  0.705306  0.032411  0.533951  1
  H  H175  1  0.901461  0.712405  0.515432  1
  H  H176  1  0.038639  0.699078  0.533951  1
  H  H177  1  0.175817  0.685751  0.552469  1
  H  H178  1  0.205306  0.032411  0.533951  1
  H  H179  1  0.401461  0.712405  0.515432  1
  H  H180  1  0.538639  0.699078  0.533951  1
  H  H181  1  0.054877  0.514642  0.558642  1
  H  H182  1  0.554877  0.514642  0.558642  1
  H  H183  1  0.692055  0.501315  0.577160  1
  H  H184  1  0.888210  0.181309  0.558642  1
  H  H185  1  0.829233  0.487988  0.595679  1
  H  H186  1  0.025388  0.167982  0.577160  1
  H  H187  1  0.192055  0.501315  0.577160  1
  H  H188  1  0.388210  0.181309  0.558642  1
  H  H189  1  0.329233  0.487988  0.595679  1
  H  H190  1  0.525388  0.167982  0.577160  1
  H  H191  1  0.721543  0.847975  0.558642  1
  H  H192  1  0.662566  0.154655  0.595679  1
  H  H193  1  0.858721  0.834649  0.577160  1
  H  H194  1  0.995900  0.821322  0.595679  1
  H  H195  1  0.221543  0.847975  0.558642  1
  H  H196  1  0.162566  0.154655  0.595679  1
  H  H197  1  0.358721  0.834649  0.577160  1
  H  H198  1  0.495900  0.821322  0.595679  1
  H  H199  1  0.920685  0.312437  0.608025  1
  H  H200  1  0.420685  0.312437  0.608025  1
  H  H201  1  0.646329  0.339091  0.570988  1
  H  H202  1  0.754018  0.979104  0.608025  1
  H  H203  1  0.783507  0.325764  0.589506  1
  H  H204  1  0.979662  0.005757  0.570988  1
  H  H205  1  0.146329  0.339091  0.570988  1
  H  H206  1  0.254018  0.979104  0.608025  1
  H  H207  1  0.283507  0.325764  0.589506  1
  H  H208  1  0.479662  0.005757  0.570988  1
  H  H209  1  0.587352  0.645771  0.608025  1
  H  H210  1  0.616840  0.992431  0.589506  1
  H  H211  1  0.812995  0.672424  0.570988  1
  H  H212  1  0.950174  0.659097  0.589506  1
  H  H213  1  0.087352  0.645771  0.608025  1
  H  H214  1  0.116840  0.992431  0.589506  1
  H  H215  1  0.312995  0.672424  0.570988  1
  H  H216  1  0.450174  0.659097  0.589506  1
  H  H217  1  0.966411  0.474662  0.614198  1
  H  H218  1  0.466411  0.474662  0.614198  1
  H  H219  1  0.603589  0.461335  0.632716  1
  H  H220  1  0.799745  0.141328  0.614198  1
  H  H221  1  0.740768  0.448008  0.651235  1
  H  H222  1  0.936923  0.128002  0.632716  1
  H  H223  1  0.103589  0.461335  0.632716  1
  H  H224  1  0.299745  0.141328  0.614198  1
  H  H225  1  0.240768  0.448008  0.651235  1
  H  H226  1  0.436923  0.128002  0.632716  1
  H  H227  1  0.633078  0.807995  0.614198  1
  H  H228  1  0.574101  0.114675  0.651235  1
  H  H229  1  0.770256  0.794668  0.632716  1
  H  H230  1  0.907434  0.781341  0.651235  1
  H  H231  1  0.133078  0.807995  0.614198  1
  H  H232  1  0.074101  0.114675  0.651235  1
  H  H233  1  0.270256  0.794668  0.632716  1
  H  H234  1  0.407434  0.781341  0.651235  1
  H  H235  1  0.832220  0.272457  0.663580  1
  H  H236  1  0.332220  0.272457  0.663580  1
  H  H237  1  0.557863  0.299110  0.626543  1
  H  H238  1  0.665553  0.939124  0.663580  1
  H  H239  1  0.695042  0.285784  0.645062  1
  H  H240  1  0.891197  0.965777  0.626543  1
  H  H241  1  0.057863  0.299110  0.626543  1
  H  H242  1  0.165553  0.939124  0.663580  1
  H  H243  1  0.195042  0.285784  0.645062  1
  H  H244  1  0.391197  0.965777  0.626543  1
  H  H245  1  0.498886  0.605790  0.663580  1
  H  H246  1  0.528375  0.952450  0.645062  1
  H  H247  1  0.724530  0.632444  0.626543  1
  H  H248  1  0.861708  0.619117  0.645062  1
  H  H249  1  0.998886  0.605790  0.663580  1
  H  H250  1  0.028375  0.952450  0.645062  1
  H  H251  1  0.224530  0.632444  0.626543  1
  H  H252  1  0.361708  0.619117  0.645062  1
  H  H253  1  0.877946  0.434681  0.669753  1
  H  H254  1  0.377946  0.434681  0.669753  1
  H  H255  1  0.515124  0.421355  0.688272  1
  H  H256  1  0.711279  0.101348  0.669753  1
  H  H257  1  0.652302  0.408028  0.706790  1
  H  H258  1  0.848457  0.088021  0.688272  1
  H  H259  1  0.015124  0.421355  0.688272  1
  H  H260  1  0.211279  0.101348  0.669753  1
  H  H261  1  0.152302  0.408028  0.706790  1
  H  H262  1  0.348457  0.088021  0.688272  1
  H  H263  1  0.544613  0.768015  0.669753  1
  H  H264  1  0.485636  0.074694  0.706790  1
  H  H265  1  0.681791  0.754688  0.688272  1
  H  H266  1  0.818969  0.741361  0.706790  1
  H  H267  1  0.044613  0.768015  0.669753  1
  H  H268  1  0.985636  0.074694  0.706790  1
  H  H269  1  0.181791  0.754688  0.688272  1
  H  H270  1  0.318969  0.741361  0.706790  1
  H  H271  1  0.743755  0.232477  0.719136  1
  H  H272  1  0.243755  0.232477  0.719136  1
  H  H273  1  0.469398  0.259130  0.682099  1
  H  H274  1  0.577088  0.899143  0.719136  1
  H  H275  1  0.606576  0.245803  0.700617  1
  H  H276  1  0.802731  0.925797  0.682099  1
  H  H277  1  0.969398  0.259130  0.682099  1
  H  H278  1  0.077088  0.899143  0.719136  1
  H  H279  1  0.106576  0.245803  0.700617  1
  H  H280  1  0.302731  0.925797  0.682099  1
  H  H281  1  0.410421  0.565810  0.719136  1
  H  H282  1  0.439910  0.912470  0.700617  1
  H  H283  1  0.636065  0.592463  0.682099  1
  H  H284  1  0.773243  0.579137  0.700617  1
  H  H285  1  0.910421  0.565810  0.719136  1
  H  H286  1  0.939910  0.912470  0.700617  1
  H  H287  1  0.136065  0.592463  0.682099  1
  H  H288  1  0.273243  0.579137  0.700617  1
