# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.11795977
_cell_length_b   8.07328571
_cell_length_c   44.70800717
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   114.51327192
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H144
_cell_volume   2994.40372734
_cell_formula_units_Z   72
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  0.676254  0.604360  0.334566  1
  H  H2  1  0.309891  0.649059  0.323737  1
  H  H3  1  0.055046  0.545117  0.348859  1
  H  H4  1  0.043987  0.038367  0.346767  1
  H  H5  1  0.674480  0.093198  0.334401  1
  H  H6  1  0.314315  0.154573  0.323713  1
  H  H7  1  0.555238  0.300031  0.348510  1
  H  H8  1  0.171621  0.339829  0.334868  1
  H  H9  1  0.813417  0.408503  0.324381  1
  H  H10  1  0.920930  0.739159  0.359057  1
  H  H11  1  0.549998  0.795578  0.348272  1
  H  H12  1  0.175049  0.842087  0.334508  1
  H  H13  1  0.794537  0.450793  0.374054  1
  H  H14  1  0.419157  0.492378  0.358947  1
  H  H15  1  0.167471  0.406026  0.384465  1
  H  H16  1  0.166031  0.904658  0.384056  1
  H  H17  1  0.794162  0.946013  0.370971  1
  H  H18  1  0.420110  0.995695  0.358769  1
  H  H19  1  0.666449  0.154297  0.384218  1
  H  H20  1  0.291836  0.199699  0.373049  1
  H  H21  1  0.919305  0.245426  0.359533  1
  H  H22  1  0.041053  0.613535  0.397224  1
  H  H23  1  0.665355  0.652904  0.384715  1
  H  H24  1  0.295781  0.703099  0.373487  1
  H  H25  1  0.914590  0.319073  0.408483  1
  H  H26  1  0.538569  0.361314  0.397128  1
  H  H27  1  0.286281  0.276888  0.421004  1
  H  H28  1  0.287518  0.777623  0.421274  1
  H  H29  1  0.913304  0.818214  0.408005  1
  H  H30  1  0.541248  0.863191  0.396856  1
  H  H31  1  0.787545  1.025568  0.420138  1
  H  H32  1  0.413626  0.067627  0.407983  1
  H  H33  1  0.039130  0.112104  0.396096  1
  H  H34  1  0.160732  0.483514  0.432807  1
  H  H35  1  0.787016  0.527501  0.421586  1
  H  H36  1  0.413751  0.568632  0.408291  1
  H  H37  1  0.033326  0.189629  0.444715  1
  H  H38  1  0.660759  0.232745  0.432589  1
  H  H39  1  0.406719  0.146276  0.456703  1
  H  H40  1  0.406946  0.646630  0.456958  1
  H  H41  1  0.033911  0.691234  0.445199  1
  H  H42  1  0.660353  0.733507  0.432881  1
  H  H43  1  0.906667  0.896180  0.456736  1
  H  H44  1  0.534209  0.940588  0.444978  1
  H  H45  1  0.160052  0.983274  0.432384  1
  H  H46  1  0.279627  0.353400  0.469344  1
  H  H47  1  0.907004  0.396460  0.457014  1
  H  H48  1  0.533415  0.440688  0.445119  1
  H  H49  1  0.152793  0.059395  0.481124  1
  H  H50  1  0.780210  0.102672  0.469018  1
  H  H51  1  0.526480  1.016500  0.493499  1
  H  H52  1  0.526076  0.516431  0.493602  1
  H  H53  1  0.153076  0.560020  0.481370  1
  H  H54  1  0.779930  0.603932  0.469576  1
  H  H55  1  0.026288  0.766701  0.493602  1
  H  H56  1  0.653004  0.809706  0.481329  1
  H  H57  1  0.280182  0.854026  0.469396  1
  H  H58  1  0.399196  0.222565  0.505450  1
  H  H59  1  0.026157  0.266204  0.493419  1
  H  H60  1  0.652998  0.309449  0.481211  1
  H  H61  1  0.272688  0.929767  0.517782  1
  H  H62  1  0.899272  0.972611  0.505457  1
  H  H63  1  0.645662  0.886228  0.529854  1
  H  H64  1  0.645664  0.386148  0.529831  1
  H  H65  1  0.272443  0.429832  0.517854  1
  H  H66  1  0.899311  0.472870  0.505617  1
  H  H67  1  0.145665  0.636413  0.529951  1
  H  H68  1  0.772498  0.679942  0.517919  1
  H  H69  1  0.399392  0.722914  0.505574  1
  H  H70  1  0.519108  0.093092  0.542035  1
  H  H71  1  0.145599  0.136130  0.529770  1
  H  H72  1  0.772685  0.179545  0.517710  1
  H  H73  1  0.392049  0.799497  0.554113  1
  H  H74  1  0.018934  0.843128  0.542041  1
  H  H75  1  0.765197  0.756625  0.566393  1
  H  H76  1  0.765390  0.256635  0.566374  1
  H  H77  1  0.392014  0.299481  0.554087  1
  H  H78  1  0.018904  0.343083  0.542054  1
  H  H79  1  0.265234  0.506662  0.566443  1
  H  H80  1  0.892052  0.549713  0.554170  1
  H  H81  1  0.518847  0.593116  0.542121  1
  H  H82  1  0.638293  0.962890  0.578371  1
  H  H83  1  0.265434  1.006205  0.566190  1
  H  H84  1  0.891984  0.049472  0.554028  1
  H  H85  1  0.511533  0.669771  0.590698  1
  H  H86  1  0.138346  0.713086  0.578514  1
  H  H87  1  0.884751  0.626147  0.602667  1
  H  H88  1  0.884484  0.125771  0.602504  1
  H  H89  1  0.511865  0.169780  0.590624  1
  H  H90  1  0.138348  0.212874  0.578348  1
  H  H91  1  0.384739  0.376063  0.602674  1
  H  H92  1  0.011606  0.419907  0.590716  1
  H  H93  1  0.638467  0.463047  0.578409  1
  H  H94  1  0.757487  0.832766  0.614980  1
  H  H95  1  0.384684  0.875697  0.602573  1
  H  H96  1  0.011547  0.919497  0.590530  1
  H  H97  1  0.630870  0.539018  0.627027  1
  H  H98  1  0.257733  0.583238  0.615182  1
  H  H99  1  0.004153  0.496563  0.639465  1
  H  H100  1  0.003604  0.995303  0.639006  1
  H  H101  1  0.630768  0.038834  0.626853  1
  H  H102  1  0.258049  0.082075  0.614582  1
  H  H103  1  0.504482  0.245851  0.639297  1
  H  H104  1  0.130805  0.288954  0.626875  1
  H  H105  1  0.757862  0.333443  0.615141  1
  H  H106  1  0.877578  0.702435  0.650996  1
  H  H107  1  0.503803  0.745829  0.639375  1
  H  H108  1  0.131010  0.789118  0.627127  1
  H  H109  1  0.750874  0.411713  0.664064  1
  H  H110  1  0.377219  0.452307  0.651227  1
  H  H111  1  0.123936  0.366376  0.675129  1
  H  H112  1  0.124537  0.866819  0.675532  1
  H  H113  1  0.749853  0.910597  0.663573  1
  H  H114  1  0.377602  0.951477  0.650865  1
  H  H115  1  0.624220  0.116032  0.675050  1
  H  H116  1  0.250774  0.158596  0.662693  1
  H  H117  1  0.877227  0.202597  0.650738  1
  H  H118  1  -0.000941  0.575151  0.688062  1
  H  H119  1  0.624029  0.616971  0.675379  1
  H  H120  1  0.250527  0.660398  0.664128  1
  H  H121  1  0.870537  0.279539  0.698675  1
  H  H122  1  0.499199  0.325872  0.687652  1
  H  H123  1  0.244897  0.232884  0.710546  1
  H  H124  1  0.246680  0.739481  0.713429  1
  H  H125  1  0.870800  0.780407  0.698836  1
  H  H126  1  0.496755  0.823623  0.687884  1
  H  H127  1  0.743118  0.986512  0.712486  1
  H  H128  1  0.370690  1.030009  0.698662  1
  H  H129  1  -0.002683  0.074253  0.687057  1
  H  H130  1  0.114986  0.434017  0.723956  1
  H  H131  1  0.747357  0.490428  0.713557  1
  H  H132  1  0.369202  0.527917  0.699400  1
  H  H133  1  0.982827  0.133045  0.736112  1
  H  H134  1  0.613295  0.190031  0.723472  1
  H  H135  1  0.354208  0.077761  0.748329  1
  H  H136  1  0.356917  0.592813  0.748709  1
  H  H137  1  -0.002643  0.639888  0.737892  1
  H  H138  1  0.611940  0.686509  0.723786  1
  H  H139  1  0.852760  0.825217  0.748629  1
  H  H140  1  0.497169  0.895338  0.737555  1
  H  H141  1  0.112128  0.939355  0.724273  1
  H  H142  1  0.226490  0.281227  0.759787  1
  H  H143  1  0.855954  0.328620  0.748498  1
  H  H144  1  0.489971  0.389668  0.737237  1
