# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.01147959
_cell_length_b   23.08227171
_cell_length_c   47.01839412
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.05762503
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H648
_cell_volume   13034.1916614
_cell_formula_units_Z   324
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  0.756401  0.576573  0.278457  1
  H  H2  1  1.089734  0.243240  0.278457  1
  H  H3  1  1.072512  0.572295  0.296873  1
  H  H4  1  0.423067  0.909907  0.278457  1
  H  H5  1  0.405845  0.238962  0.296873  1
  H  H6  1  0.393517  0.566437  0.313717  1
  H  H7  1  0.739178  0.905629  0.296873  1
  H  H8  1  0.726850  0.233104  0.313717  1
  H  H9  1  1.060184  0.899771  0.313717  1
  H  H10  1  0.731370  0.652609  0.309932  1
  H  H11  1  1.064703  0.319276  0.309932  1
  H  H12  1  1.097769  0.660435  0.274483  1
  H  H13  1  0.398036  -0.014058  0.309932  1
  H  H14  1  0.431102  0.327102  0.274483  1
  H  H15  1  0.410090  0.653456  0.290507  1
  H  H16  1  0.764435  -0.006232  0.274483  1
  H  H17  1  0.743423  0.320122  0.290507  1
  H  H18  1  1.076756  -0.013211  0.290507  1
  H  H19  1  0.710289  0.740474  0.284991  1
  H  H20  1  1.043622  0.407141  0.284991  1
  H  H21  1  1.029516  0.736730  0.303522  1
  H  H22  1  0.376955  0.073808  0.284991  1
  H  H23  1  0.362850  0.403397  0.303522  1
  H  H24  1  0.397334  0.747783  0.268606  1
  H  H25  1  0.696183  0.070064  0.303522  1
  H  H26  1  0.730667  0.414450  0.268606  1
  H  H27  1  1.064000  0.081116  0.268606  1
  H  H28  1  0.741122  0.831269  0.264296  1
  H  H29  1  1.074455  0.497935  0.264296  1
  H  H30  1  1.047872  0.824555  0.279926  1
  H  H31  1  0.407788  0.164602  0.264296  1
  H  H32  1  0.381205  0.491222  0.279926  1
  H  H33  1  0.367240  0.822456  0.300209  1
  H  H34  1  0.714538  0.157889  0.279926  1
  H  H35  1  0.700573  0.489123  0.300209  1
  H  H36  1  1.033907  0.155790  0.300209  1
  H  H37  1  0.572512  0.572295  0.296873  1
  H  H38  1  0.905845  0.238962  0.296873  1
  H  H39  1  0.893517  0.566437  0.313717  1
  H  H40  1  0.239178  0.905629  0.296873  1
  H  H41  1  0.226850  0.233104  0.313717  1
  H  H42  1  0.256401  0.576573  0.278457  1
  H  H43  1  0.560184  0.899771  0.313717  1
  H  H44  1  0.589734  0.243240  0.278457  1
  H  H45  1  0.923067  0.909907  0.278457  1
  H  H46  1  0.597769  0.660435  0.274483  1
  H  H47  1  0.931102  0.327102  0.274483  1
  H  H48  1  0.910090  0.653456  0.290507  1
  H  H49  1  0.264435  -0.006232  0.274483  1
  H  H50  1  0.243423  0.320122  0.290507  1
  H  H51  1  0.231370  0.652609  0.309932  1
  H  H52  1  0.576756  -0.013211  0.290507  1
  H  H53  1  0.564703  0.319276  0.309932  1
  H  H54  1  0.898036  -0.014058  0.309932  1
  H  H55  1  0.529516  0.736730  0.303522  1
  H  H56  1  0.862850  0.403397  0.303522  1
  H  H57  1  0.897334  0.747783  0.268606  1
  H  H58  1  0.196183  0.070064  0.303522  1
  H  H59  1  0.230667  0.414450  0.268606  1
  H  H60  1  0.210289  0.740474  0.284991  1
  H  H61  1  0.564000  0.081116  0.268606  1
  H  H62  1  0.543622  0.407141  0.284991  1
  H  H63  1  0.876955  0.073808  0.284991  1
  H  H64  1  0.547872  0.824555  0.279926  1
  H  H65  1  0.881205  0.491222  0.279926  1
  H  H66  1  0.867240  0.822456  0.300209  1
  H  H67  1  0.214538  0.157889  0.279926  1
  H  H68  1  0.200573  0.489123  0.300209  1
  H  H69  1  0.241122  0.831269  0.264296  1
  H  H70  1  0.533907  0.155790  0.300209  1
  H  H71  1  0.574455  0.497935  0.264296  1
  H  H72  1  0.907788  0.164602  0.264296  1
  H  H73  1  0.714333  0.564604  0.330932  1
  H  H74  1  1.047666  0.231271  0.330932  1
  H  H75  1  1.034266  0.560128  0.347414  1
  H  H76  1  0.380999  0.897938  0.330932  1
  H  H77  1  0.367600  0.226795  0.347414  1
  H  H78  1  0.354240  0.556632  0.364596  1
  H  H79  1  0.700933  0.893462  0.347414  1
  H  H80  1  0.687573  0.223299  0.364596  1
  H  H81  1  1.020906  0.889966  0.364596  1
  H  H82  1  0.688876  0.641458  0.360242  1
  H  H83  1  1.022209  0.308125  0.360242  1
  H  H84  1  1.049530  0.648998  0.326278  1
  H  H85  1  0.355543  -0.025209  0.360242  1
  H  H86  1  0.382863  0.315665  0.326278  1
  H  H87  1  0.370384  0.644533  0.343069  1
  H  H88  1  0.716196  -0.017668  0.326278  1
  H  H89  1  0.703717  0.311200  0.343069  1
  H  H90  1  1.037051  -0.022134  0.343069  1
  H  H91  1  0.666713  0.729549  0.336890  1
  H  H92  1  1.000046  0.396215  0.336890  1
  H  H93  1  0.984932  0.725574  0.353755  1
  H  H94  1  0.333379  0.062882  0.336890  1
  H  H95  1  0.318266  0.392241  0.353755  1
  H  H96  1  0.347783  0.732374  0.319553  1
  H  H97  1  0.651599  0.058907  0.353755  1
  H  H98  1  0.681117  0.399041  0.319553  1
  H  H99  1  1.014450  0.065708  0.319553  1
  H  H100  1  0.682961  0.817066  0.315412  1
  H  H101  1  1.016295  0.483733  0.315412  1
  H  H102  1  1.003028  0.813738  0.332966  1
  H  H103  1  0.349628  0.150399  0.315412  1
  H  H104  1  0.336361  0.480404  0.332966  1
  H  H105  1  0.320482  0.809938  0.349375  1
  H  H106  1  0.669694  0.147071  0.332966  1
  H  H107  1  0.653816  0.476605  0.349375  1
  H  H108  1  0.987149  0.143271  0.349375  1
  H  H109  1  0.534266  0.560128  0.347414  1
  H  H110  1  0.867600  0.226795  0.347414  1
  H  H111  1  0.854240  0.556632  0.364596  1
  H  H112  1  0.200933  0.893462  0.347414  1
  H  H113  1  0.187573  0.223299  0.364596  1
  H  H114  1  0.214333  0.564604  0.330932  1
  H  H115  1  0.520906  0.889966  0.364596  1
  H  H116  1  0.547666  0.231271  0.330932  1
  H  H117  1  0.880999  0.897938  0.330932  1
  H  H118  1  0.549530  0.648998  0.326278  1
  H  H119  1  0.882863  0.315665  0.326278  1
  H  H120  1  0.870384  0.644533  0.343069  1
  H  H121  1  0.216196  -0.017668  0.326278  1
  H  H122  1  0.203717  0.311200  0.343069  1
  H  H123  1  0.188876  0.641458  0.360242  1
  H  H124  1  0.537051  -0.022134  0.343069  1
  H  H125  1  0.522209  0.308125  0.360242  1
  H  H126  1  0.855543  -0.025209  0.360242  1
  H  H127  1  0.484932  0.725574  0.353755  1
  H  H128  1  0.818266  0.392241  0.353755  1
  H  H129  1  0.847783  0.732374  0.319553  1
  H  H130  1  1.151599  0.058907  0.353755  1
  H  H131  1  0.181117  0.399041  0.319553  1
  H  H132  1  1.166713  0.729549  0.336890  1
  H  H133  1  0.514450  0.065708  0.319553  1
  H  H134  1  0.500046  0.396215  0.336890  1
  H  H135  1  0.833379  0.062882  0.336890  1
  H  H136  1  0.503028  0.813738  0.332966  1
  H  H137  1  0.836361  0.480404  0.332966  1
  H  H138  1  0.820482  0.809938  0.349375  1
  H  H139  1  1.169694  0.147071  0.332966  1
  H  H140  1  1.153816  0.476605  0.349375  1
  H  H141  1  0.182961  0.817066  0.315412  1
  H  H142  1  0.487149  0.143271  0.349375  1
  H  H143  1  0.516295  0.483733  0.315412  1
  H  H144  1  0.849628  0.150399  0.315412  1
  H  H145  1  0.673459  0.552848  0.381361  1
  H  H146  1  1.006792  0.219515  0.381361  1
  H  H147  1  0.993188  0.549241  0.398391  1
  H  H148  1  0.340126  0.886182  0.381361  1
  H  H149  1  0.326521  0.215908  0.398391  1
  H  H150  1  0.312346  0.545593  0.415282  1
  H  H151  1  0.659854  0.882575  0.398391  1
  H  H152  1  0.645679  0.212260  0.415282  1
  H  H153  1  0.979013  0.878926  0.415282  1
  H  H154  1  0.646787  0.630146  0.410902  1
  H  H155  1  0.980120  0.296813  0.410902  1
  H  H156  1  1.008376  0.637383  0.377025  1
  H  H157  1  0.313454  -0.036521  0.410902  1
  H  H158  1  0.341710  0.304050  0.377025  1
  H  H159  1  0.327623  0.633845  0.393970  1
  H  H160  1  0.675043  -0.029284  0.377025  1
  H  H161  1  0.660956  0.300512  0.393970  1
  H  H162  1  0.994289  -0.032822  0.393970  1
  H  H163  1  0.623295  0.718383  0.387495  1
  H  H164  1  0.956629  0.385050  0.387495  1
  H  H165  1  0.942445  0.714574  0.404364  1
  H  H166  1  0.289962  0.051716  0.387495  1
  H  H167  1  0.275779  0.381241  0.404364  1
  H  H168  1  0.304442  0.721739  0.370488  1
  H  H169  1  0.609112  0.047908  0.404364  1
  H  H170  1  0.637775  0.388406  0.370488  1
  H  H171  1  0.971109  0.055072  0.370488  1
  H  H172  1  0.639941  0.806685  0.366404  1
  H  H173  1  0.973274  0.473352  0.366404  1
  H  H174  1  0.958435  0.802936  0.383226  1
  H  H175  1  0.306607  0.140018  0.366404  1
  H  H176  1  0.291769  0.469603  0.383226  1
  H  H177  1  0.277601  0.799129  0.400086  1
  H  H178  1  0.625102  0.136270  0.383226  1
  H  H179  1  0.610935  0.465795  0.400086  1
  H  H180  1  0.944268  0.132462  0.400086  1
  H  H181  1  0.493188  0.549241  0.398391  1
  H  H182  1  0.826521  0.215908  0.398391  1
  H  H183  1  0.812346  0.545593  0.415282  1
  H  H184  1  1.159854  0.882575  0.398391  1
  H  H185  1  1.145679  0.212260  0.415282  1
  H  H186  1  1.173459  0.552848  0.381361  1
  H  H187  1  0.479013  0.878926  0.415282  1
  H  H188  1  0.506792  0.219515  0.381361  1
  H  H189  1  0.840126  0.886182  0.381361  1
  H  H190  1  0.508376  0.637383  0.377025  1
  H  H191  1  0.841710  0.304050  0.377025  1
  H  H192  1  0.827623  0.633845  0.393970  1
  H  H193  1  1.175043  -0.029284  0.377025  1
  H  H194  1  1.160956  0.300512  0.393970  1
  H  H195  1  1.146787  0.630146  0.410902  1
  H  H196  1  0.494289  -0.032822  0.393970  1
  H  H197  1  0.480120  0.296813  0.410902  1
  H  H198  1  0.813454  -0.036521  0.410902  1
  H  H199  1  0.442445  0.714574  0.404364  1
  H  H200  1  0.775779  0.381241  0.404364  1
  H  H201  1  0.804442  0.721739  0.370488  1
  H  H202  1  1.109112  0.047908  0.404364  1
  H  H203  1  1.137775  0.388406  0.370488  1
  H  H204  1  1.123295  0.718383  0.387495  1
  H  H205  1  0.471109  0.055072  0.370488  1
  H  H206  1  0.456629  0.385050  0.387495  1
  H  H207  1  0.789962  0.051716  0.387495  1
  H  H208  1  0.458435  0.802936  0.383226  1
  H  H209  1  0.791769  0.469603  0.383226  1
  H  H210  1  0.777601  0.799129  0.400086  1
  H  H211  1  1.125102  0.136270  0.383226  1
  H  H212  1  1.110935  0.465795  0.400086  1
  H  H213  1  1.139941  0.806685  0.366404  1
  H  H214  1  0.444268  0.132462  0.400086  1
  H  H215  1  0.473274  0.473352  0.366404  1
  H  H216  1  0.806607  0.140018  0.366404  1
  H  H217  1  0.631733  0.541867  0.432204  1
  H  H218  1  0.965067  0.208534  0.432204  1
  H  H219  1  0.950917  0.538273  0.449128  1
  H  H220  1  0.298400  0.875201  0.432204  1
  H  H221  1  0.284251  0.204940  0.449128  1
  H  H222  1  0.270131  0.534606  0.466038  1
  H  H223  1  0.617584  0.871607  0.449128  1
  H  H224  1  0.603464  0.201273  0.466038  1
  H  H225  1  0.936797  0.867939  0.466038  1
  H  H226  1  0.604390  0.619217  0.461649  1
  H  H227  1  0.937723  0.285884  0.461649  1
  H  H228  1  0.965986  0.626531  0.427825  1
  H  H229  1  0.271057  -0.047449  0.461649  1
  H  H230  1  0.299320  0.293198  0.427825  1
  H  H231  1  0.285193  0.622869  0.444747  1
  H  H232  1  0.632653  -0.040135  0.427825  1
  H  H233  1  0.618526  0.289536  0.444747  1
  H  H234  1  0.951860  -0.043798  0.444747  1
  H  H235  1  0.580844  0.707329  0.438196  1
  H  H236  1  0.914178  0.373995  0.438196  1
  H  H237  1  0.900032  0.703662  0.455103  1
  H  H238  1  0.247511  0.040662  0.438196  1
  H  H239  1  0.233365  0.370328  0.455103  1
  H  H240  1  0.261657  0.710926  0.421284  1
  H  H241  1  0.566698  0.036995  0.455103  1
  H  H242  1  0.594991  0.377593  0.421284  1
  H  H243  1  0.928324  0.044259  0.421284  1
  H  H244  1  0.596482  0.795647  0.416997  1
  H  H245  1  0.929816  0.462314  0.416997  1
  H  H246  1  0.915594  0.791918  0.433884  1
  H  H247  1  0.263149  0.128981  0.416997  1
  H  H248  1  0.248928  0.458585  0.433884  1
  H  H249  1  0.234608  0.788290  0.450758  1
  H  H250  1  0.582261  0.125252  0.433884  1
  H  H251  1  0.567941  0.454956  0.450758  1
  H  H252  1  0.901275  0.121623  0.450758  1
  H  H253  1  0.450917  0.538273  0.449128  1
  H  H254  1  0.784251  0.204940  0.449128  1
  H  H255  1  0.770131  0.534606  0.466038  1
  H  H256  1  1.117584  0.871607  0.449128  1
  H  H257  1  1.103464  0.201273  0.466038  1
  H  H258  1  1.131733  0.541867  0.432204  1
  H  H259  1  0.436797  0.867939  0.466038  1
  H  H260  1  0.465067  0.208534  0.432204  1
  H  H261  1  0.798400  0.875201  0.432204  1
  H  H262  1  0.465986  0.626531  0.427825  1
  H  H263  1  0.799320  0.293198  0.427825  1
  H  H264  1  0.785193  0.622869  0.444747  1
  H  H265  1  1.132653  -0.040135  0.427825  1
  H  H266  1  1.118526  0.289536  0.444747  1
  H  H267  1  1.104390  0.619217  0.461649  1
  H  H268  1  0.451860  -0.043798  0.444747  1
  H  H269  1  0.437723  0.285884  0.461649  1
  H  H270  1  0.771057  -0.047449  0.461649  1
  H  H271  1  0.400032  0.703662  0.455103  1
  H  H272  1  0.733365  0.370328  0.455103  1
  H  H273  1  0.761657  0.710926  0.421284  1
  H  H274  1  1.066698  0.036995  0.455103  1
  H  H275  1  1.094991  0.377593  0.421284  1
  H  H276  1  1.080844  0.707329  0.438196  1
  H  H277  1  0.428324  0.044259  0.421284  1
  H  H278  1  0.414178  0.373995  0.438196  1
  H  H279  1  0.747511  0.040662  0.438196  1
  H  H280  1  0.415594  0.791918  0.433884  1
  H  H281  1  0.748928  0.458585  0.433884  1
  H  H282  1  0.734608  0.788290  0.450758  1
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  H  H575  1  0.260324  0.418373  0.619807  1
  H  H576  1  0.593657  0.085039  0.619807  1
  H  H577  1  0.413990  0.485882  0.684194  1
  H  H578  1  0.747323  0.152549  0.684194  1
  H  H579  1  0.733358  0.483783  0.704478  1
  H  H580  1  1.080656  0.819215  0.684194  1
  H  H581  1  1.066691  0.150450  0.704478  1
  H  H582  1  1.040108  0.477070  0.720107  1
  H  H583  1  0.400025  0.817116  0.704478  1
  H  H584  1  0.373441  0.143736  0.720107  1
  H  H585  1  0.706775  0.810403  0.720107  1
  H  H586  1  0.383896  0.560555  0.715797  1
  H  H587  1  0.717229  0.227222  0.715797  1
  H  H588  1  0.751714  0.571608  0.680881  1
  H  H589  1  1.050563  0.893889  0.715797  1
  H  H590  1  1.085047  0.238275  0.680881  1
  H  H591  1  1.070941  0.567864  0.699412  1
  H  H592  1  0.418380  0.904941  0.680881  1
  H  H593  1  0.404275  0.234531  0.699412  1
  H  H594  1  0.737608  0.901197  0.699412  1
  H  H595  1  0.371140  0.654883  0.693897  1
  H  H596  1  0.704473  0.321549  0.693897  1
  H  H597  1  0.683461  0.647903  0.709921  1
  H  H598  1  1.037807  -0.011784  0.693897  1
  H  H599  1  1.016795  0.314570  0.709921  1
  H  H600  1  1.049860  0.655729  0.674471  1
  H  H601  1  0.350128  -0.018763  0.709921  1
  H  H602  1  0.383193  0.322396  0.674471  1
  H  H603  1  0.716527  -0.010937  0.674471  1
  H  H604  1  0.387713  0.741901  0.670686  1
  H  H605  1  0.721046  0.408568  0.670686  1
  H  H606  1  0.708718  0.736043  0.687530  1
  H  H607  1  1.054379  0.075234  0.670686  1
  H  H608  1  1.042052  0.402710  0.687530  1
  H  H609  1  1.024829  0.731765  0.705946  1
  H  H610  1  0.375385  0.069376  0.687530  1
  H  H611  1  0.358162  0.398432  0.705946  1
  H  H612  1  0.691496  0.065098  0.705946  1
  H  H613  1  0.233358  0.483783  0.704478  1
  H  H614  1  0.566691  0.150450  0.704478  1
  H  H615  1  0.540108  0.477070  0.720107  1
  H  H616  1  0.900025  0.817116  0.704478  1
  H  H617  1  0.873441  0.143736  0.720107  1
  H  H618  1  0.913990  0.485882  0.684194  1
  H  H619  1  0.206775  0.810403  0.720107  1
  H  H620  1  0.247323  0.152549  0.684194  1
  H  H621  1  0.580656  0.819215  0.684194  1
  H  H622  1  0.251714  0.571608  0.680881  1
  H  H623  1  0.585047  0.238275  0.680881  1
  H  H624  1  0.570941  0.567864  0.699412  1
  H  H625  1  0.918380  0.904941  0.680881  1
  H  H626  1  0.904275  0.234531  0.699412  1
  H  H627  1  0.883896  0.560555  0.715797  1
  H  H628  1  0.237608  0.901197  0.699412  1
  H  H629  1  0.217229  0.227222  0.715797  1
  H  H630  1  0.550563  0.893889  0.715797  1
  H  H631  1  0.183461  0.647903  0.709921  1
  H  H632  1  0.516795  0.314570  0.709921  1
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  H  H636  1  0.871140  0.654883  0.693897  1
  H  H637  1  0.216527  -0.010937  0.674471  1
  H  H638  1  0.204473  0.321549  0.693897  1
  H  H639  1  0.537807  -0.011784  0.693897  1
  H  H640  1  0.208718  0.736043  0.687530  1
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  H  H642  1  0.524829  0.731765  0.705946  1
  H  H643  1  0.875385  0.069376  0.687530  1
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  H  H645  1  0.887713  0.741901  0.670686  1
  H  H646  1  0.191496  0.065098  0.705946  1
  H  H647  1  0.221046  0.408568  0.670686  1
  H  H648  1  0.554379  0.075234  0.670686  1
