# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.47091888
_cell_length_b   8.07861133
_cell_length_c   48.09944743
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H162
_cell_volume   3275.10269153
_cell_formula_units_Z   81
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  0.910646  0.306712  0.315066  1
  H  H2  1  0.243979  0.973378  0.315066  1
  H  H3  1  0.323844  0.389683  0.278259  1
  H  H4  1  0.577312  0.640045  0.315066  1
  H  H5  1  0.657177  0.056350  0.278259  1
  H  H6  1  0.610864  0.342231  0.296036  1
  H  H7  1  -0.009489  0.723016  0.278259  1
  H  H8  1  0.944197  1.008897  0.296036  1
  H  H9  1  0.277530  0.675564  0.296036  1
  H  H10  1  0.851326  0.250112  0.270695  1
  H  H11  1  0.184660  0.916779  0.270695  1
  H  H12  1  0.131221  0.199411  0.287283  1
  H  H13  1  0.517993  0.583446  0.270695  1
  H  H14  1  0.464554  0.866078  0.287283  1
  H  H15  1  0.423087  0.154561  0.303387  1
  H  H16  1  0.797888  0.532744  0.287283  1
  H  H17  1  0.756421  0.821228  0.303387  1
  H  H18  1  0.089754  0.487895  0.303387  1
  H  H19  1  0.818328  0.204245  0.364166  1
  H  H20  1  0.151661  0.870911  0.364166  1
  H  H21  1  0.212620  0.271891  0.330481  1
  H  H22  1  0.484994  0.537578  0.364166  1
  H  H23  1  0.545954  0.938558  0.330481  1
  H  H24  1  0.513318  0.236708  0.346459  1
  H  H25  1  0.879287  0.605225  0.330481  1
  H  H26  1  0.846652  0.903375  0.346459  1
  H  H27  1  0.179985  0.570041  0.346459  1
  H  H28  1  0.728275  0.122654  0.322167  1
  H  H29  1  0.061608  0.789320  0.322167  1
  H  H30  1  0.029548  0.087107  0.339024  1
  H  H31  1  0.394942  0.455987  0.322167  1
  H  H32  1  0.362882  0.753773  0.339024  1
  H  H33  1  0.334809  0.054659  0.356267  1
  H  H34  1  0.696215  0.420440  0.339024  1
  H  H35  1  0.668142  0.721326  0.356267  1
  H  H36  1  0.001475  0.387993  0.356267  1
  H  H37  1  0.726079  0.101772  0.414640  1
  H  H38  1  0.059413  0.768439  0.414640  1
  H  H39  1  0.121088  0.169224  0.381048  1
  H  H40  1  0.392746  0.435105  0.414640  1
  H  H41  1  0.454422  0.835890  0.381048  1
  H  H42  1  0.424013  0.135986  0.398064  1
  H  H43  1  0.787755  0.502557  0.381048  1
  H  H44  1  0.757347  0.802652  0.398064  1
  H  H45  1  0.090680  0.469319  0.398064  1
  H  H46  1  0.636250  0.020615  0.372451  1
  H  H47  1  0.969584  0.687282  0.372451  1
  H  H48  1  0.937816  0.985674  0.389006  1
  H  H49  1  0.302917  0.353948  0.372451  1
  H  H50  1  0.271149  0.652341  0.389006  1
  H  H51  1  0.241903  0.951833  0.406295  1
  H  H52  1  0.604483  0.319008  0.389006  1
  H  H53  1  0.575236  0.618500  0.406295  1
  H  H54  1  0.908570  0.285167  0.406295  1
  H  H55  1  0.634233  0.998996  0.465337  1
  H  H56  1  0.967567  0.665662  0.465337  1
  H  H57  1  0.028614  0.067025  0.431403  1
  H  H58  1  0.300900  0.332329  0.465337  1
  H  H59  1  0.361947  0.733692  0.431403  1
  H  H60  1  0.331690  0.033166  0.448472  1
  H  H61  1  0.695280  0.400358  0.431403  1
  H  H62  1  0.665024  0.699833  0.448472  1
  H  H63  1  -0.001643  0.366499  0.448472  1
  H  H64  1  0.544266  0.917599  0.423192  1
  H  H65  1  0.877599  0.584266  0.423192  1
  H  H66  1  0.846996  0.883803  0.440095  1
  H  H67  1  0.210932  0.250932  0.423192  1
  H  H68  1  0.180329  0.550470  0.440095  1
  H  H69  1  0.149591  0.849466  0.456839  1
  H  H70  1  0.513663  0.217136  0.440095  1
  H  H71  1  0.482924  0.516132  0.456839  1
  H  H72  1  0.816257  0.182799  0.456839  1
  H  H73  1  0.542406  0.896639  0.515976  1
  H  H74  1  0.875740  0.563306  0.515976  1
  H  H75  1  0.937009  0.964929  0.482205  1
  H  H76  1  0.209073  0.229973  0.515976  1
  H  H77  1  0.270342  0.631596  0.482205  1
  H  H78  1  0.239610  0.930713  0.499030  1
  H  H79  1  0.603676  0.298262  0.482205  1
  H  H80  1  0.572943  0.597380  0.499030  1
  H  H81  1  0.906276  0.264047  0.499030  1
  H  H82  1  0.452196  0.815195  0.473706  1
  H  H83  1  0.785530  0.481862  0.473706  1
  H  H84  1  0.754993  0.781121  0.490652  1
  H  H85  1  0.118863  0.148528  0.473706  1
  H  H86  1  0.088326  0.447788  0.490652  1
  H  H87  1  0.057594  0.746905  0.507476  1
  H  H88  1  0.421660  0.114454  0.490652  1
  H  H89  1  0.390927  0.413572  0.507476  1
  H  H90  1  0.724260  0.080239  0.507476  1
  H  H91  1  0.450337  0.794235  0.566489  1
  H  H92  1  0.783670  0.460902  0.566489  1
  H  H93  1  0.845012  0.862369  0.532843  1
  H  H94  1  0.117004  0.127569  0.566489  1
  H  H95  1  0.178345  0.529035  0.532843  1
  H  H96  1  0.147607  0.828031  0.549587  1
  H  H97  1  0.511679  0.195702  0.532843  1
  H  H98  1  0.480940  0.494698  0.549587  1
  H  H99  1  0.814273  0.161365  0.549587  1
  H  H100  1  0.360369  0.712839  0.524345  1
  H  H101  1  0.693703  0.379505  0.524345  1
  H  H102  1  0.662912  0.678668  0.541210  1
  H  H103  1  0.027036  0.046172  0.524345  1
  H  H104  1  -0.003754  0.345335  0.541210  1
  H  H105  1  0.965989  0.644809  0.558278  1
  H  H106  1  0.329579  1.012002  0.541210  1
  H  H107  1  0.299322  0.311476  0.558278  1
  H  H108  1  0.632656  0.978143  0.558278  1
  H  H109  1  0.358352  0.691219  0.617231  1
  H  H110  1  0.691686  0.357886  0.617231  1
  H  H111  1  0.752700  0.760001  0.583387  1
  H  H112  1  0.025019  0.024553  0.617231  1
  H  H113  1  0.086033  0.426668  0.583387  1
  H  H114  1  0.056787  0.726160  0.600676  1
  H  H115  1  0.419366  0.093334  0.583387  1
  H  H116  1  0.390120  0.392827  0.600676  1
  H  H117  1  0.723453  0.059493  0.600676  1
  H  H118  1  0.268523  0.610062  0.575042  1
  H  H119  1  0.601857  0.276729  0.575042  1
  H  H120  1  0.570589  0.575849  0.591618  1
  H  H121  1  0.935190  0.943396  0.575042  1
  H  H122  1  0.903923  0.242515  0.591618  1
  H  H123  1  0.873514  0.542611  0.608634  1
  H  H124  1  0.237256  0.909182  0.591618  1
  H  H125  1  0.206848  0.209277  0.608634  1
  H  H126  1  0.540181  0.875944  0.608634  1
  H  H127  1  0.266328  0.589181  0.667515  1
  H  H128  1  0.599661  0.255847  0.667515  1
  H  H129  1  0.659794  0.657175  0.633415  1
  H  H130  1  0.932994  0.922514  0.667515  1
  H  H131  1  -0.006873  0.323842  0.633415  1
  H  H132  1  0.965054  0.624728  0.650658  1
  H  H133  1  0.326461  0.990508  0.633415  1
  H  H134  1  0.298388  0.291394  0.650658  1
  H  H135  1  0.631721  0.958061  0.650658  1
  H  H136  1  0.176275  0.507590  0.625515  1
  H  H137  1  0.509608  0.174256  0.625515  1
  H  H138  1  0.481284  0.475126  0.643222  1
  H  H139  1  0.842942  0.840923  0.625515  1
  H  H140  1  0.814618  0.141793  0.643222  1
  H  H141  1  0.781982  0.439943  0.659200  1
  H  H142  1  0.147951  0.808460  0.643222  1
  H  H143  1  0.115316  0.106610  0.659200  1
  H  H144  1  0.448649  0.773276  0.659200  1
  H  H145  1  0.143276  0.461722  0.718986  1
  H  H146  1  0.476610  0.128389  0.718986  1
  H  H147  1  0.571515  0.557273  0.686295  1
  H  H148  1  0.809943  0.795055  0.718986  1
  H  H149  1  0.904849  0.223940  0.686295  1
  H  H150  1  0.863382  0.512423  0.702399  1
  H  H151  1  0.238182  0.890606  0.686295  1
  H  H152  1  0.196715  0.179090  0.702399  1
  H  H153  1  0.530048  0.845757  0.702399  1
  H  H154  1  0.083957  0.405123  0.674616  1
  H  H155  1  0.417290  0.071789  0.674616  1
  H  H156  1  0.383739  0.369604  0.693646  1
  H  H157  1  0.750624  0.738456  0.674616  1
  H  H158  1  0.717072  0.036270  0.693646  1
  H  H159  1  0.670759  0.322151  0.711423  1
  H  H160  1  0.050406  0.702937  0.693646  1
  H  H161  1  0.004092  0.988818  0.711423  1
  H  H162  1  0.337425  0.655484  0.711423  1
