# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.18153205
_cell_length_b   15.47184572
_cell_length_c   48.08766178
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.92317379
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H288
_cell_volume   6083.10139065
_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  0.929143  0.306992  0.303931  1
  H  H2  1  0.429143  0.806992  0.303931  1
  H  H3  1  0.401705  0.301664  0.328623  1
  H  H4  1  0.901705  0.801664  0.328623  1
  H  H5  1  0.903854  0.445174  0.285884  1
  H  H6  1  0.403854  0.945174  0.285884  1
  H  H7  1  0.354656  0.434888  0.309396  1
  H  H8  1  0.854656  0.934888  0.309396  1
  H  H9  1  0.777583  0.558067  0.313698  1
  H  H10  1  0.277583  0.058067  0.313698  1
  H  H11  1  0.331016  0.572045  0.290379  1
  H  H12  1  0.831016  0.072045  0.290379  1
  H  H13  1  0.878538  0.691648  0.297136  1
  H  H14  1  0.378538  0.191648  0.297136  1
  H  H15  1  0.338475  0.679611  0.322968  1
  H  H16  1  0.838475  0.179611  0.322968  1
  H  H17  1  0.664182  0.309970  0.317163  1
  H  H18  1  1.164182  0.809970  0.317163  1
  H  H19  1  0.204429  0.320401  0.292285  1
  H  H20  1  0.704429  0.820401  0.292285  1
  H  H21  1  0.622090  0.443327  0.296744  1
  H  H22  1  1.122090  0.943327  0.296744  1
  H  H23  1  1.089093  0.428654  0.321969  1
  H  H24  1  0.589093  0.928654  0.321969  1
  H  H25  1  0.510617  0.551850  0.326802  1
  H  H26  1  1.010617  0.051850  0.326802  1
  H  H27  1  1.051445  0.563692  0.302037  1
  H  H28  1  0.551445  0.063692  0.302037  1
  H  H29  1  0.601531  0.680745  0.307461  1
  H  H30  1  1.101531  0.180745  0.307461  1
  H  H31  1  1.158137  0.700645  0.286116  1
  H  H32  1  0.658137  0.200645  0.286116  1
  H  H33  1  0.868592  0.291431  0.352275  1
  H  H34  1  0.368592  0.791431  0.352275  1
  H  H35  1  0.334566  0.279086  0.375332  1
  H  H36  1  0.834566  0.779086  0.375332  1
  H  H37  1  0.821641  0.424198  0.333191  1
  H  H38  1  0.321641  0.924198  0.333191  1
  H  H39  1  0.286989  0.412719  0.356816  1
  H  H40  1  0.786989  0.912719  0.356816  1
  H  H41  1  0.706684  0.536045  0.361401  1
  H  H42  1  0.206684  0.036045  0.361401  1
  H  H43  1  0.241050  0.546932  0.338064  1
  H  H44  1  0.741050  0.046932  0.338064  1
  H  H45  1  0.803301  0.668633  0.344497  1
  H  H46  1  0.303301  0.168633  0.344497  1
  H  H47  1  0.270093  0.657597  0.368932  1
  H  H48  1  0.770093  0.157597  0.368932  1
  H  H49  1  0.602148  0.284820  0.363944  1
  H  H50  1  1.102148  0.784820  0.363944  1
  H  H51  1  1.134012  0.294011  0.339545  1
  H  H52  1  0.634012  0.794011  0.339545  1
  H  H53  1  0.554281  0.419132  0.345337  1
  H  H54  1  1.054281  0.919132  0.345337  1
  H  H55  1  1.020289  0.407563  0.368498  1
  H  H56  1  0.520289  0.907563  0.368498  1
  H  H57  1  0.438230  0.530549  0.373322  1
  H  H58  1  0.938230  0.030549  0.373322  1
  H  H59  1  0.973026  0.541592  0.349407  1
  H  H60  1  0.473026  0.041592  0.349407  1
  H  H61  1  0.538205  0.663445  0.356780  1
  H  H62  1  1.038205  0.163445  0.356780  1
  H  H63  1  1.071178  0.674295  0.333531  1
  H  H64  1  0.571178  0.174295  0.333531  1
  H  H65  1  0.800477  0.268528  0.399192  1
  H  H66  1  0.300477  0.768528  0.399192  1
  H  H67  1  0.265759  0.257351  0.422604  1
  H  H68  1  0.765759  0.757351  0.422604  1
  H  H69  1  0.752888  0.402429  0.380288  1
  H  H70  1  0.252888  0.902429  0.380288  1
  H  H71  1  0.218443  0.391070  0.403817  1
  H  H72  1  0.718443  0.891070  0.403817  1
  H  H73  1  0.636398  0.513996  0.408489  1
  H  H74  1  1.136398  0.013996  0.408489  1
  H  H75  1  1.170678  0.524847  0.384920  1
  H  H76  1  0.670678  0.024847  0.384920  1
  H  H77  1  0.735898  0.646709  0.391924  1
  H  H78  1  0.235898  0.146709  0.391924  1
  H  H79  1  0.201029  0.635575  0.415652  1
  H  H80  1  0.701029  0.135575  0.415652  1
  H  H81  1  0.532920  0.262820  0.410897  1
  H  H82  1  1.032920  0.762820  0.410897  1
  H  H83  1  1.067863  0.273980  0.387188  1
  H  H84  1  0.567863  0.773980  0.387188  1
  H  H85  1  0.485505  0.396547  0.392067  1
  H  H86  1  0.985505  0.896547  0.392067  1
  H  H87  1  0.951131  0.385675  0.415570  1
  H  H88  1  0.451131  0.885675  0.415570  1
  H  H89  1  0.368986  0.508451  0.420294  1
  H  H90  1  0.868986  0.008451  0.420294  1
  H  H91  1  0.903787  0.519463  0.396682  1
  H  H92  1  0.403787  0.019463  0.396682  1
  H  H93  1  0.468783  0.641267  0.403836  1
  H  H94  1  0.968783  0.141267  0.403836  1
  H  H95  1  1.002509  0.652062  0.380179  1
  H  H96  1  0.502509  0.152062  0.380179  1
  H  H97  1  0.731312  0.246388  0.446223  1
  H  H98  1  0.231312  0.746388  0.446223  1
  H  H99  1  0.196753  0.235353  0.469746  1
  H  H100  1  0.696753  0.735353  0.469746  1
  H  H101  1  0.683751  0.380203  0.427361  1
  H  H102  1  0.183751  0.880203  0.427361  1
  H  H103  1  1.149249  0.369142  0.450914  1
  H  H104  1  0.649249  0.869142  0.450914  1
  H  H105  1  0.567168  0.491958  0.455610  1
  H  H106  1  1.067168  -0.008042  0.455610  1
  H  H107  1  1.101715  0.502918  0.432057  1
  H  H108  1  0.601715  0.002918  0.432057  1
  H  H109  1  0.666612  0.624662  0.439111  1
  H  H110  1  1.166612  0.124662  0.439111  1
  H  H111  1  1.131934  0.613640  0.462701  1
  H  H112  1  0.631934  0.113640  0.462701  1
  H  H113  1  0.463998  0.240856  0.457987  1
  H  H114  1  0.963998  0.740856  0.457987  1
  H  H115  1  0.998642  0.251899  0.434411  1
  H  H116  1  0.498642  0.751899  0.434411  1
  H  H117  1  0.416514  0.374652  0.439151  1
  H  H118  1  0.916514  0.874652  0.439151  1
  H  H119  1  0.881958  0.363661  0.462682  1
  H  H120  1  0.381958  0.863661  0.462682  1
  H  H121  1  0.299869  0.486443  0.467396  1
  H  H122  1  0.799869  -0.013557  0.467396  1
  H  H123  1  0.834459  0.497448  0.443823  1
  H  H124  1  0.334459  -0.002552  0.443823  1
  H  H125  1  0.399308  0.619165  0.450914  1
  H  H126  1  0.899308  0.119165  0.450914  1
  H  H127  1  0.933747  0.630144  0.427337  1
  H  H128  1  0.433747  0.130144  0.427337  1
  H  H129  1  0.662201  0.224363  0.493315  1
  H  H130  1  1.162201  0.724363  0.493315  1
  H  H131  1  1.127632  0.213349  0.516865  1
  H  H132  1  0.627632  0.713349  0.516865  1
  H  H133  1  0.614676  0.358161  0.474468  1
  H  H134  1  1.114676  0.858161  0.474468  1
  H  H135  1  1.080124  0.347136  0.498017  1
  H  H136  1  0.580124  0.847136  0.498017  1
  H  H137  1  0.498026  0.469934  0.502719  1
  H  H138  1  0.998026  -0.030066  0.502719  1
  H  H139  1  1.032590  0.480934  0.479167  1
  H  H140  1  0.532590  -0.019066  0.479167  1
  H  H141  1  0.597403  0.602654  0.486232  1
  H  H142  1  1.097403  0.102654  0.486232  1
  H  H143  1  1.062806  0.591651  0.509794  1
  H  H144  1  0.562806  0.091651  0.509794  1
  H  H145  1  0.394904  0.218855  0.505091  1
  H  H146  1  0.894904  0.718855  0.505091  1
  H  H147  1  0.929495  0.229866  0.481530  1
  H  H148  1  0.429495  0.729866  0.481530  1
  H  H149  1  0.347392  0.352644  0.486248  1
  H  H150  1  0.847392  0.852644  0.486248  1
  H  H151  1  0.812847  0.341644  0.509794  1
  H  H152  1  0.312847  0.841644  0.509794  1
  H  H153  1  0.230769  0.464423  0.514504  1
  H  H154  1  0.730769  -0.035577  0.514504  1
  H  H155  1  0.765312  0.475441  0.490938  1
  H  H156  1  0.265312  -0.024559  0.490938  1
  H  H157  1  0.330106  0.597150  0.498015  1
  H  H158  1  0.830106  0.097150  0.498015  1
  H  H159  1  0.864666  0.608145  0.474456  1
  H  H160  1  0.364666  0.108145  0.474456  1
  H  H161  1  0.593043  0.202354  0.540421  1
  H  H162  1  1.093043  0.702354  0.540421  1
  H  H163  1  1.058442  0.191323  0.563989  1
  H  H164  1  0.558442  0.691323  0.563989  1
  H  H165  1  0.545562  0.336138  0.521572  1
  H  H166  1  1.045562  0.836138  0.521572  1
  H  H167  1  1.011016  0.325110  0.545126  1
  H  H168  1  0.511016  0.825110  0.545126  1
  H  H169  1  0.428958  0.447919  0.549828  1
  H  H170  1  0.928958  0.947919  0.549828  1
  H  H171  1  0.963532  0.458937  0.526264  1
  H  H172  1  0.463532  -0.041063  0.526264  1
  H  H173  1  0.528229  0.580650  0.533336  1
  H  H174  1  1.028229  0.080650  0.533336  1
  H  H175  1  0.993632  0.569663  0.556896  1
  H  H176  1  0.493632  0.069663  0.556896  1
  H  H177  1  0.325716  0.196863  0.552210  1
  H  H178  1  0.825716  0.696863  0.552210  1
  H  H179  1  0.860350  0.207851  0.528639  1
  H  H180  1  0.360350  0.707851  0.528639  1
  H  H181  1  0.278272  0.330629  0.533358  1
  H  H182  1  0.778272  0.830629  0.533358  1
  H  H183  1  0.743771  0.319632  0.556907  1
  H  H184  1  0.243771  0.819632  0.556907  1
  H  H185  1  1.161782  0.442372  0.561624  1
  H  H186  1  0.661782  0.942372  0.561624  1
  H  H187  1  0.696224  0.453436  0.538035  1
  H  H188  1  0.196224  -0.046564  0.538035  1
  H  H189  1  0.260888  0.575148  0.545116  1
  H  H190  1  0.760888  0.075148  0.545116  1
  H  H191  1  0.795533  0.586159  0.521562  1
  H  H192  1  0.295533  0.086159  0.521562  1
  H  H193  1  0.523570  0.180372  0.587527  1
  H  H194  1  1.023570  0.680372  0.587527  1
  H  H195  1  0.989112  0.169283  0.611166  1
  H  H196  1  0.489112  0.669283  0.611166  1
  H  H197  1  0.476485  0.314143  0.568670  1
  H  H198  1  0.976485  0.814143  0.568670  1
  H  H199  1  0.942165  0.303039  0.592266  1
  H  H200  1  0.442165  0.803039  0.592266  1
  H  H201  1  0.359880  0.425880  0.596958  1
  H  H202  1  0.859880  0.925880  0.596958  1
  H  H203  1  0.894645  0.436924  0.573334  1
  H  H204  1  0.394645  0.936924  0.573334  1
  H  H205  1  0.458987  0.558700  0.580414  1
  H  H206  1  0.958987  0.058700  0.580414  1
  H  H207  1  0.925210  0.547510  0.604023  1
  H  H208  1  0.425210  0.047510  0.604023  1
  H  H209  1  0.256088  0.174901  0.599371  1
  H  H210  1  0.756088  0.674901  0.599371  1
  H  H211  1  0.791162  0.185859  0.575742  1
  H  H212  1  0.291162  0.685859  0.575742  1
  H  H213  1  0.209076  0.308571  0.580484  1
  H  H214  1  0.709076  0.808571  0.580484  1
  H  H215  1  0.675207  0.297879  0.604005  1
  H  H216  1  1.175207  0.797879  0.604005  1
  H  H217  1  1.093348  0.420018  0.608822  1
  H  H218  1  0.593348  0.920018  0.608822  1
  H  H219  1  0.627178  0.431450  0.585110  1
  H  H220  1  1.127178  0.931450  0.585110  1
  H  H221  1  0.191640  0.553020  0.592181  1
  H  H222  1  0.691640  0.053020  0.592181  1
  H  H223  1  0.726464  0.564198  0.568651  1
  H  H224  1  0.226464  0.064198  0.568651  1
  H  H225  1  0.451017  0.158344  0.634621  1
  H  H226  1  0.951017  0.658344  0.634621  1
  H  H227  1  0.912968  0.147575  0.657985  1
  H  H228  1  0.412968  0.647575  0.657985  1
  H  H229  1  0.407643  0.292264  0.615631  1
  H  H230  1  0.907643  0.792264  0.615631  1
  H  H231  1  0.875286  0.281049  0.639296  1
  H  H232  1  0.375286  0.781049  0.639296  1
  H  H233  1  0.294853  0.404120  0.644323  1
  H  H234  1  0.794853  0.904120  0.644323  1
  H  H235  1  0.826773  0.415288  0.620302  1
  H  H236  1  0.326773  0.915288  0.620302  1
  H  H237  1  0.389711  0.536793  0.627277  1
  H  H238  1  0.889711  0.036793  0.627277  1
  H  H239  1  0.858568  0.525910  0.651437  1
  H  H240  1  0.358568  0.025910  0.651437  1
  H  H241  1  0.184143  0.152662  0.646746  1
  H  H242  1  0.684143  0.652662  0.646746  1
  H  H243  1  0.720416  0.164055  0.622643  1
  H  H244  1  0.220416  0.664055  0.622643  1
  H  H245  1  1.141234  0.286742  0.627784  1
  H  H246  1  0.641234  0.786742  0.627784  1
  H  H247  1  0.606295  0.276993  0.650843  1
  H  H248  1  1.106295  0.776993  0.650843  1
  H  H249  1  1.028484  0.398344  0.656021  1
  H  H250  1  0.528484  0.898344  0.656021  1
  H  H251  1  0.558545  0.409479  0.632036  1
  H  H252  1  1.058545  0.909479  0.632036  1
  H  H253  1  1.124422  0.529794  0.639365  1
  H  H254  1  0.624422  0.029794  0.639365  1
  H  H255  1  0.658335  0.542261  0.615572  1
  H  H256  1  1.158335  0.042261  0.615572  1
  H  H257  1  0.365247  0.136888  0.683663  1
  H  H258  1  0.865247  0.636888  0.683663  1
  H  H259  1  0.784073  0.121812  0.708151  1
  H  H260  1  0.284073  0.621812  0.708151  1
  H  H261  1  0.341337  0.271055  0.662804  1
  H  H262  1  0.841337  0.771055  0.662804  1
  H  H263  1  0.803575  0.257599  0.686551  1
  H  H264  1  0.303575  0.757599  0.686551  1
  H  H265  1  0.227936  0.380848  0.692108  1
  H  H266  1  0.727936  0.880848  0.692108  1
  H  H267  1  0.760743  0.392046  0.666144  1
  H  H268  1  0.260743  0.892046  0.666144  1
  H  H269  1  0.324142  0.515283  0.675143  1
  H  H270  1  0.824142  0.015283  0.675143  1
  H  H271  1  0.764319  0.500456  0.698632  1
  H  H272  1  0.264319  0.000456  0.698632  1
  H  H273  1  1.076067  0.125803  0.696151  1
  H  H274  1  0.576067  0.625803  0.696151  1
  H  H275  1  0.640443  0.142331  0.668625  1
  H  H276  1  1.140443  0.642331  0.668625  1
  H  H277  1  1.076101  0.262385  0.675575  1
  H  H278  1  0.576101  0.762385  0.675575  1
  H  H279  1  0.530665  0.250364  0.698861  1
  H  H280  1  1.030665  0.750364  0.698861  1
  H  H281  1  0.946718  0.376111  0.702779  1
  H  H282  1  0.446718  0.876111  0.702779  1
  H  H283  1  0.502427  0.391922  0.681325  1
  H  H284  1  1.002427  0.891922  0.681325  1
  H  H285  1  1.051734  0.512950  0.688062  1
  H  H286  1  0.551734  0.012950  0.688062  1
  H  H287  1  0.588372  0.521504  0.661751  1
  H  H288  1  1.088372  0.021504  0.661751  1
