# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.33546922
_cell_length_b   16.49696928
_cell_length_c   58.24291058
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.78755052
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H104
_cell_volume   2232.55398115
_cell_formula_units_Z   52
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  0.988161  0.284467  0.197490  1
  H  H2  1  0.390861  0.774741  0.219150  1
  H  H3  1  0.377449  0.170253  0.181727  1
  H  H4  1  0.761895  0.656951  0.205289  1
  H  H5  1  0.169346  0.040495  0.198554  1
  H  H6  1  0.180559  0.527416  0.208921  1
  H  H7  1  0.559611  0.411669  0.193038  1
  H  H8  1  0.607950  0.910240  0.203029  1
  H  H9  1  0.439166  0.263138  0.231254  1
  H  H10  1  0.847664  0.744812  0.252826  1
  H  H11  1  0.812542  0.151126  0.216186  1
  H  H12  1  0.216732  0.630449  0.238601  1
  H  H13  1  0.617830  0.012926  0.232328  1
  H  H14  1  0.638131  0.502550  0.242589  1
  H  H15  1  1.011034  0.389543  0.226753  1
  H  H16  1  1.041082  0.885287  0.237128  1
  H  H17  1  0.888964  0.236019  0.264125  1
  H  H18  1  0.300071  0.718129  0.286432  1
  H  H19  1  0.255666  0.123443  0.248973  1
  H  H20  1  0.666417  0.604987  0.271609  1
  H  H21  1  1.065166  -0.014895  0.265772  1
  H  H22  1  1.091706  0.477269  0.275800  1
  H  H23  1  0.459137  0.364479  0.259949  1
  H  H24  1  0.489318  0.855836  0.269874  1
  H  H25  1  0.337718  0.209574  0.297268  1
  H  H26  1  0.750661  0.692014  0.319955  1
  H  H27  1  0.702548  0.096745  0.281937  1
  H  H28  1  1.115300  0.579192  0.304810  1
  H  H29  1  0.514282  0.957933  0.299003  1
  H  H30  1  0.542344  0.450995  0.309067  1
  H  H31  1  0.909574  0.337956  0.293077  1
  H  H32  1  0.940249  0.829756  0.302922  1
  H  H33  1  0.786447  0.183167  0.330456  1
  H  H34  1  0.199896  0.665891  0.353367  1
  H  H35  1  0.150447  0.070229  0.315050  1
  H  H36  1  0.563599  0.553104  0.338058  1
  H  H37  1  0.961177  0.931883  0.332289  1
  H  H38  1  0.991520  0.424769  0.342337  1
  H  H39  1  0.357891  0.311666  0.326268  1
  H  H40  1  0.389811  0.803980  0.336122  1
  H  H41  1  0.234845  0.157079  0.363689  1
  H  H42  1  0.648439  0.639828  0.386715  1
  H  H43  1  0.598330  0.044226  0.348264  1
  H  H44  1  1.011770  0.527023  0.371326  1
  H  H45  1  0.408458  0.905931  0.365577  1
  H  H46  1  0.440192  0.398637  0.375594  1
  H  H47  1  0.806052  0.285497  0.359473  1
  H  H48  1  0.838438  0.778066  0.369387  1
  H  H49  1  0.682984  0.131083  0.396948  1
  H  H50  1  1.096599  0.613815  0.420017  1
  H  H51  1  1.046272  0.018261  0.381526  1
  H  H52  1  0.459886  0.500993  0.404595  1
  H  H53  1  0.856261  0.879963  0.398865  1
  H  H54  1  0.888602  0.372609  0.408840  1
  H  H55  1  0.254269  0.259467  0.392703  1
  H  H56  1  0.286610  0.752113  0.402678  1
  H  H57  1  1.131101  0.105053  0.430217  1
  H  H58  1  0.544541  0.587850  0.453280  1
  H  H59  1  0.494432  -0.007752  0.414828  1
  H  H60  1  0.908025  0.474997  0.437854  1
  H  H61  1  0.304432  0.854011  0.432156  1
  H  H62  1  0.336818  0.346579  0.442070  1
  H  H63  1  0.702679  0.233439  0.425949  1
  H  H64  1  0.734413  0.726145  0.435966  1
  H  H65  1  0.579272  0.078972  0.463485  1
  H  H66  1  0.992423  0.561847  0.486493  1
  H  H67  1  0.942974  0.966186  0.448176  1
  H  H68  1  0.356423  0.448909  0.471087  1
  H  H69  1  0.753060  0.828096  0.465421  1
  H  H70  1  0.784979  0.320410  0.475275  1
  H  H71  1  0.151351  0.207307  0.459206  1
  H  H72  1  0.181694  0.700193  0.469254  1
  H  H73  1  1.027571  0.052884  0.496733  1
  H  H74  1  0.440322  0.535331  0.519606  1
  H  H75  1  0.392209  0.940062  0.481588  1
  H  H76  1  0.805152  0.422502  0.504275  1
  H  H77  1  0.202621  0.802320  0.498621  1
  H  H78  1  0.233296  0.294120  0.508466  1
  H  H79  1  0.600527  0.181081  0.492476  1
  H  H80  1  0.628588  0.674143  0.502541  1
  H  H81  1  0.476454  0.027089  0.529934  1
  H  H82  1  0.887205  0.508633  0.552571  1
  H  H83  1  0.842799  0.913947  0.515111  1
  H  H84  1  0.253906  0.396058  0.537418  1
  H  H85  1  0.653553  0.776240  0.531669  1
  H  H86  1  0.683734  0.267597  0.541595  1
  H  H87  1  1.051164  0.154807  0.525743  1
  H  H88  1  1.077705  0.646971  0.535771  1
  H  H89  1  0.926139  0.001627  0.562942  1
  H  H90  1  0.330329  0.480950  0.585357  1
  H  H91  1  0.295207  0.887265  0.548717  1
  H  H92  1  0.703705  0.368938  0.570289  1
  H  H93  1  1.101788  0.746789  0.564415  1
  H  H94  1  1.131837  0.242533  0.574790  1
  H  H95  1  0.504740  0.129526  0.558954  1
  H  H96  1  0.525041  0.619150  0.569215  1
  H  H97  1  0.380976  -0.024875  0.596254  1
  H  H98  1  0.765421  0.461823  0.619816  1
  H  H99  1  0.752010  0.857335  0.582393  1
  H  H100  1  0.154710  0.347609  0.604053  1
  H  H101  1  0.534920  0.721836  0.598514  1
  H  H102  1  0.583260  0.220408  0.608505  1
  H  H103  1  0.962311  0.104661  0.592622  1
  H  H104  1  0.973524  0.591581  0.602989  1
