# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.34021772
_cell_length_b   25.71069575
_cell_length_c   49.95708154
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.50741920
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H576
_cell_volume   15676.3650808
_cell_formula_units_Z   288
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  0.976557  0.701188  0.325732  1
  H  H2  1  0.643224  0.534522  0.325732  1
  H  H3  1  0.740643  0.717911  0.288695  1
  H  H4  1  0.976557  0.201188  0.325732  1
  H  H5  1  0.073976  0.384577  0.288695  1
  H  H6  1  0.025267  0.542883  0.307214  1
  H  H7  1  0.309891  0.367855  0.325732  1
  H  H8  1  0.407310  0.551244  0.288695  1
  H  H9  1  0.358600  0.709550  0.307214  1
  H  H10  1  0.643224  0.034522  0.325732  1
  H  H11  1  0.740643  0.217911  0.288695  1
  H  H12  1  0.691933  0.376216  0.307214  1
  H  H13  1  0.073976  0.884577  0.288695  1
  H  H14  1  0.025267  0.042883  0.307214  1
  H  H15  1  0.309891  0.867855  0.325732  1
  H  H16  1  0.407310  0.051244  0.288695  1
  H  H17  1  0.358600  0.209550  0.307214  1
  H  H18  1  0.691933  0.876216  0.307214  1
  H  H19  1  0.082698  0.856231  0.285379  1
  H  H20  1  0.749365  0.689565  0.285379  1
  H  H21  1  0.700655  0.847870  0.303898  1
  H  H22  1  0.082698  0.356231  0.285379  1
  H  H23  1  0.033989  0.514537  0.303898  1
  H  H24  1  0.985279  0.672842  0.322416  1
  H  H25  1  0.416031  0.522898  0.285379  1
  H  H26  1  0.367322  0.681204  0.303898  1
  H  H27  1  0.318613  0.839509  0.322416  1
  H  H28  1  0.749365  0.189565  0.285379  1
  H  H29  1  0.700655  0.347870  0.303898  1
  H  H30  1  0.651946  0.506176  0.322416  1
  H  H31  1  0.033989  0.014537  0.303898  1
  H  H32  1  0.985279  0.172842  0.322416  1
  H  H33  1  0.416031  0.022898  0.285379  1
  H  H34  1  0.367322  0.181204  0.303898  1
  H  H35  1  0.318613  0.339509  0.322416  1
  H  H36  1  0.651946  0.006176  0.322416  1
  H  H37  1  0.907310  0.801244  0.288695  1
  H  H38  1  0.573976  0.634577  0.288695  1
  H  H39  1  0.525267  0.792883  0.307214  1
  H  H40  1  0.907310  0.301244  0.288695  1
  H  H41  1  0.858600  0.459550  0.307214  1
  H  H42  1  0.809891  0.617855  0.325732  1
  H  H43  1  0.240643  0.467911  0.288695  1
  H  H44  1  0.191933  0.626216  0.307214  1
  H  H45  1  0.143224  0.784522  0.325732  1
  H  H46  1  0.573976  0.134577  0.288695  1
  H  H47  1  0.525267  0.292883  0.307214  1
  H  H48  1  0.476557  0.451188  0.325732  1
  H  H49  1  0.858600  0.959550  0.307214  1
  H  H50  1  0.809891  0.117855  0.325732  1
  H  H51  1  0.240643  0.967911  0.288695  1
  H  H52  1  0.191933  0.126216  0.307214  1
  H  H53  1  0.143224  0.284522  0.325732  1
  H  H54  1  0.476557  0.951188  0.325732  1
  H  H55  1  0.916031  0.772898  0.285379  1
  H  H56  1  0.582698  0.606231  0.285379  1
  H  H57  1  0.533989  0.764537  0.303898  1
  H  H58  1  0.916031  0.272898  0.285379  1
  H  H59  1  0.867322  0.431204  0.303898  1
  H  H60  1  0.818613  0.589509  0.322416  1
  H  H61  1  0.249365  0.439565  0.285379  1
  H  H62  1  0.200655  0.597870  0.303898  1
  H  H63  1  0.151946  0.756176  0.322416  1
  H  H64  1  0.582698  0.106231  0.285379  1
  H  H65  1  0.533989  0.264537  0.303898  1
  H  H66  1  0.485279  0.422842  0.322416  1
  H  H67  1  0.867322  0.931204  0.303898  1
  H  H68  1  0.818613  0.089509  0.322416  1
  H  H69  1  0.249365  0.939565  0.285379  1
  H  H70  1  0.200655  0.097870  0.303898  1
  H  H71  1  0.151946  0.256176  0.322416  1
  H  H72  1  0.485279  0.922842  0.322416  1
  H  H73  1  0.830429  0.676105  0.381288  1
  H  H74  1  0.497096  0.509439  0.381288  1
  H  H75  1  0.594515  0.692827  0.344251  1
  H  H76  1  0.830429  0.176105  0.381288  1
  H  H77  1  0.927848  0.359494  0.344251  1
  H  H78  1  0.879139  0.517800  0.362769  1
  H  H79  1  0.163762  0.342772  0.381288  1
  H  H80  1  0.261181  0.526161  0.344251  1
  H  H81  1  0.212472  0.684466  0.362769  1
  H  H82  1  0.497096  0.009439  0.381288  1
  H  H83  1  0.594515  0.192827  0.344251  1
  H  H84  1  0.545805  0.351133  0.362769  1
  H  H85  1  0.927848  0.859494  0.344251  1
  H  H86  1  0.879139  0.017800  0.362769  1
  H  H87  1  0.163762  0.842772  0.381288  1
  H  H88  1  0.261181  0.026161  0.344251  1
  H  H89  1  0.212472  0.184466  0.362769  1
  H  H90  1  0.545805  0.851133  0.362769  1
  H  H91  1  0.936570  0.831148  0.340935  1
  H  H92  1  0.603236  0.664481  0.340935  1
  H  H93  1  0.554527  0.822787  0.359453  1
  H  H94  1  0.936570  0.331148  0.340935  1
  H  H95  1  0.887860  0.489454  0.359453  1
  H  H96  1  0.839151  0.647759  0.377972  1
  H  H97  1  0.269903  0.497815  0.340935  1
  H  H98  1  0.221194  0.656120  0.359453  1
  H  H99  1  0.172484  0.814426  0.377972  1
  H  H100  1  0.603236  0.164481  0.340935  1
  H  H101  1  0.554527  0.322787  0.359453  1
  H  H102  1  0.505818  0.481093  0.377972  1
  H  H103  1  0.887860  0.989454  0.359453  1
  H  H104  1  0.839151  0.147759  0.377972  1
  H  H105  1  0.269903  0.997815  0.340935  1
  H  H106  1  0.221194  0.156120  0.359453  1
  H  H107  1  0.172484  0.314426  0.377972  1
  H  H108  1  0.505818  0.981093  0.377972  1
  H  H109  1  0.761181  0.776161  0.344251  1
  H  H110  1  0.427848  0.609494  0.344251  1
  H  H111  1  0.379139  0.767800  0.362769  1
  H  H112  1  0.761181  0.276161  0.344251  1
  H  H113  1  0.712472  0.434466  0.362769  1
  H  H114  1  0.663762  0.592772  0.381288  1
  H  H115  1  0.094515  0.442827  0.344251  1
  H  H116  1  0.045805  0.601133  0.362769  1
  H  H117  1  0.997096  0.759439  0.381288  1
  H  H118  1  0.427848  0.109494  0.344251  1
  H  H119  1  0.379139  0.267800  0.362769  1
  H  H120  1  0.330429  0.426105  0.381288  1
  H  H121  1  0.712472  0.934466  0.362769  1
  H  H122  1  0.663762  0.092772  0.381288  1
  H  H123  1  0.094515  0.942827  0.344251  1
  H  H124  1  0.045805  0.101133  0.362769  1
  H  H125  1  0.997096  0.259439  0.381288  1
  H  H126  1  0.330429  0.926105  0.381288  1
  H  H127  1  0.769903  0.747815  0.340935  1
  H  H128  1  0.436570  0.581148  0.340935  1
  H  H129  1  0.387860  0.739454  0.359453  1
  H  H130  1  0.769903  0.247815  0.340935  1
  H  H131  1  0.721194  0.406120  0.359453  1
  H  H132  1  0.672484  0.564426  0.377972  1
  H  H133  1  0.103236  0.414481  0.340935  1
  H  H134  1  0.054527  0.572787  0.359453  1
  H  H135  1  0.005818  0.731093  0.377972  1
  H  H136  1  0.436570  0.081148  0.340935  1
  H  H137  1  0.387860  0.239454  0.359453  1
  H  H138  1  0.339151  0.397759  0.377972  1
  H  H139  1  0.721194  0.906120  0.359453  1
  H  H140  1  0.672484  0.064426  0.377972  1
  H  H141  1  0.103236  0.914481  0.340935  1
  H  H142  1  0.054527  0.072787  0.359453  1
  H  H143  1  0.005818  0.231093  0.377972  1
  H  H144  1  0.339151  0.897759  0.377972  1
  H  H145  1  0.684301  0.651022  0.436843  1
  H  H146  1  0.350967  0.484356  0.436843  1
  H  H147  1  0.448386  0.667744  0.399806  1
  H  H148  1  0.684301  0.151022  0.436843  1
  H  H149  1  0.781720  0.334411  0.399806  1
  H  H150  1  0.733010  0.492717  0.418325  1
  H  H151  1  0.017634  0.317689  0.436843  1
  H  H152  1  0.115053  0.501078  0.399806  1
  H  H153  1  0.066344  0.659383  0.418325  1
  H  H154  1  0.350967  0.984356  0.436843  1
  H  H155  1  0.448386  0.167744  0.399806  1
  H  H156  1  0.399677  0.326050  0.418325  1
  H  H157  1  0.781720  0.834411  0.399806  1
  H  H158  1  0.733010  0.992717  0.418325  1
  H  H159  1  0.017634  0.817689  0.436843  1
  H  H160  1  0.115053  0.001078  0.399806  1
  H  H161  1  0.066344  0.159383  0.418325  1
  H  H162  1  0.399677  0.826050  0.418325  1
  H  H163  1  0.790442  0.806065  0.396490  1
  H  H164  1  0.457108  0.639398  0.396490  1
  H  H165  1  0.408399  0.797704  0.415009  1
  H  H166  1  0.790442  0.306065  0.396490  1
  H  H167  1  0.741732  0.464371  0.415009  1
  H  H168  1  0.693023  0.622676  0.433527  1
  H  H169  1  0.123775  0.472732  0.396490  1
  H  H170  1  0.075065  0.631037  0.415009  1
  H  H171  1  0.026356  0.789343  0.433527  1
  H  H172  1  0.457108  0.139398  0.396490  1
  H  H173  1  0.408399  0.297704  0.415009  1
  H  H174  1  0.359689  0.456010  0.433527  1
  H  H175  1  0.741732  0.964371  0.415009  1
  H  H176  1  0.693023  0.122676  0.433527  1
  H  H177  1  0.123775  0.972732  0.396490  1
  H  H178  1  0.075065  0.131037  0.415009  1
  H  H179  1  0.026356  0.289343  0.433527  1
  H  H180  1  0.359689  0.956010  0.433527  1
  H  H181  1  0.615053  0.751078  0.399806  1
  H  H182  1  0.281720  0.584411  0.399806  1
  H  H183  1  0.233010  0.742717  0.418325  1
  H  H184  1  0.615053  0.251078  0.399806  1
  H  H185  1  0.566344  0.409383  0.418325  1
  H  H186  1  0.517634  0.567689  0.436843  1
  H  H187  1  0.948386  0.417744  0.399806  1
  H  H188  1  0.899677  0.576050  0.418325  1
  H  H189  1  0.850967  0.734356  0.436843  1
  H  H190  1  0.281720  0.084411  0.399806  1
  H  H191  1  0.233010  0.242717  0.418325  1
  H  H192  1  0.184301  0.401022  0.436843  1
  H  H193  1  0.566344  0.909383  0.418325  1
  H  H194  1  0.517634  0.067689  0.436843  1
  H  H195  1  0.948386  0.917744  0.399806  1
  H  H196  1  0.899677  0.076050  0.418325  1
  H  H197  1  0.850967  0.234356  0.436843  1
  H  H198  1  0.184301  0.901022  0.436843  1
  H  H199  1  0.623775  0.722732  0.396490  1
  H  H200  1  0.290442  0.556065  0.396490  1
  H  H201  1  0.241732  0.714371  0.415009  1
  H  H202  1  0.623775  0.222732  0.396490  1
  H  H203  1  0.575065  0.381037  0.415009  1
  H  H204  1  0.526356  0.539343  0.433527  1
  H  H205  1  0.957108  0.389398  0.396490  1
  H  H206  1  0.908399  0.547704  0.415009  1
  H  H207  1  0.859689  0.706010  0.433527  1
  H  H208  1  0.290442  0.056065  0.396490  1
  H  H209  1  0.241732  0.214371  0.415009  1
  H  H210  1  0.193023  0.372676  0.433527  1
  H  H211  1  0.575065  0.881037  0.415009  1
  H  H212  1  0.526356  0.039343  0.433527  1
  H  H213  1  0.957108  0.889398  0.396490  1
  H  H214  1  0.908399  0.047704  0.415009  1
  H  H215  1  0.859689  0.206010  0.433527  1
  H  H216  1  0.193023  0.872676  0.433527  1
  H  H217  1  0.538173  0.625939  0.492399  1
  H  H218  1  0.204839  0.459273  0.492399  1
  H  H219  1  0.302258  0.642661  0.455362  1
  H  H220  1  0.538173  0.125939  0.492399  1
  H  H221  1  0.635591  0.309328  0.455362  1
  H  H222  1  0.586882  0.467634  0.473880  1
  H  H223  1  0.871506  0.292606  0.492399  1
  H  H224  1  0.968925  0.475995  0.455362  1
  H  H225  1  0.920215  0.634300  0.473880  1
  H  H226  1  0.204839  0.959273  0.492399  1
  H  H227  1  0.302258  0.142661  0.455362  1
  H  H228  1  0.253549  0.300967  0.473880  1
  H  H229  1  0.635591  0.809328  0.455362  1
  H  H230  1  0.586882  0.967634  0.473880  1
  H  H231  1  0.871506  0.792606  0.492399  1
  H  H232  1  0.968925  0.975995  0.455362  1
  H  H233  1  0.920215  0.134300  0.473880  1
  H  H234  1  0.253549  0.800967  0.473880  1
  H  H235  1  0.644313  0.780982  0.452046  1
  H  H236  1  0.310980  0.614315  0.452046  1
  H  H237  1  0.262270  0.772621  0.470564  1
  H  H238  1  0.644313  0.280982  0.452046  1
  H  H239  1  0.595604  0.439288  0.470564  1
  H  H240  1  0.546894  0.597593  0.489083  1
  H  H241  1  0.977647  0.447649  0.452046  1
  H  H242  1  0.928937  0.605954  0.470564  1
  H  H243  1  0.880228  0.764260  0.489083  1
  H  H244  1  0.310980  0.114315  0.452046  1
  H  H245  1  0.262270  0.272621  0.470564  1
  H  H246  1  0.213561  0.430927  0.489083  1
  H  H247  1  0.595604  0.939288  0.470564  1
  H  H248  1  0.546894  0.097593  0.489083  1
  H  H249  1  0.977647  0.947649  0.452046  1
  H  H250  1  0.928937  0.105954  0.470564  1
  H  H251  1  0.880228  0.264260  0.489083  1
  H  H252  1  0.213561  0.930927  0.489083  1
  H  H253  1  0.468925  0.725995  0.455362  1
  H  H254  1  0.135591  0.559328  0.455362  1
  H  H255  1  0.086882  0.717634  0.473880  1
  H  H256  1  0.468925  0.225995  0.455362  1
  H  H257  1  0.420215  0.384300  0.473880  1
  H  H258  1  0.371506  0.542606  0.492399  1
  H  H259  1  0.802258  0.392661  0.455362  1
  H  H260  1  0.753549  0.550967  0.473880  1
  H  H261  1  0.704839  0.709273  0.492399  1
  H  H262  1  0.135591  0.059328  0.455362  1
  H  H263  1  0.086882  0.217634  0.473880  1
  H  H264  1  0.038173  0.375939  0.492399  1
  H  H265  1  0.420215  0.884300  0.473880  1
  H  H266  1  0.371506  0.042606  0.492399  1
  H  H267  1  0.802258  0.892661  0.455362  1
  H  H268  1  0.753549  0.050967  0.473880  1
  H  H269  1  0.704839  0.209273  0.492399  1
  H  H270  1  0.038173  0.875939  0.492399  1
  H  H271  1  0.477647  0.697649  0.452046  1
  H  H272  1  0.144313  0.530982  0.452046  1
  H  H273  1  0.095604  0.689288  0.470564  1
  H  H274  1  0.477647  0.197649  0.452046  1
  H  H275  1  0.428937  0.355954  0.470564  1
  H  H276  1  0.380228  0.514260  0.489083  1
  H  H277  1  0.810980  0.364315  0.452046  1
  H  H278  1  0.762270  0.522621  0.470564  1
  H  H279  1  0.713561  0.680927  0.489083  1
  H  H280  1  0.144313  0.030982  0.452046  1
  H  H281  1  0.095604  0.189288  0.470564  1
  H  H282  1  0.046894  0.347593  0.489083  1
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  H  H572  1  0.795715  0.913928  0.711305  1
  H  H573  1  0.226467  0.763983  0.674268  1
  H  H574  1  0.177757  0.922289  0.692786  1
  H  H575  1  0.129048  0.080594  0.711305  1
  H  H576  1  0.462381  0.747261  0.711305  1
