# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.00144119
_cell_length_b   14.91414275
_cell_length_c   48.03295229
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.16647544
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H120
_cell_volume   11053.1283069
_cell_formula_units_Z   60
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  0.774148  0.470171  0.311869  1
  H  H2  1  0.161638  0.489838  0.296717  1
  H  H3  1  0.549129  0.509506  0.281566  1
  H  H4  1  0.774148  0.970171  0.311869  1
  H  H5  1  0.161638  0.989838  0.296717  1
  H  H6  1  0.549129  0.009506  0.281566  1
  H  H7  1  0.726220  0.243116  0.294192  1
  H  H8  1  0.113711  0.262784  0.279040  1
  H  H9  1  0.338729  0.223449  0.309343  1
  H  H10  1  0.726220  0.743116  0.294192  1
  H  H11  1  0.113711  0.762784  0.279040  1
  H  H12  1  0.338729  0.723449  0.309343  1
  H  H13  1  0.611675  0.411167  0.357323  1
  H  H14  1  0.999166  0.430835  0.342172  1
  H  H15  1  0.386657  0.450503  0.327020  1
  H  H16  1  0.611675  0.911167  0.357323  1
  H  H17  1  0.999166  0.930835  0.342172  1
  H  H18  1  0.386657  0.950503  0.327020  1
  H  H19  1  0.563748  0.184113  0.339646  1
  H  H20  1  0.951239  0.203781  0.324495  1
  H  H21  1  0.176257  0.164445  0.354798  1
  H  H22  1  0.563748  0.684113  0.339646  1
  H  H23  1  0.951239  0.703781  0.324495  1
  H  H24  1  0.176257  0.664445  0.354798  1
  H  H25  1  0.449203  0.352164  0.402778  1
  H  H26  1  0.836694  0.371831  0.387626  1
  H  H27  1  0.224184  0.391499  0.372475  1
  H  H28  1  0.449203  0.852164  0.402778  1
  H  H29  1  0.836694  0.871831  0.387626  1
  H  H30  1  0.224184  0.891499  0.372475  1
  H  H31  1  0.401275  0.125109  0.385101  1
  H  H32  1  0.788766  0.144777  0.369949  1
  H  H33  1  0.013785  0.105442  0.400253  1
  H  H34  1  0.401275  0.625109  0.385101  1
  H  H35  1  0.788766  0.644777  0.369949  1
  H  H36  1  0.013785  0.605442  0.400253  1
  H  H37  1  0.286730  0.293160  0.448232  1
  H  H38  1  0.674221  0.312828  0.433081  1
  H  H39  1  0.061712  0.332496  0.417929  1
  H  H40  1  0.286730  0.793160  0.448232  1
  H  H41  1  0.674221  0.812828  0.433081  1
  H  H42  1  0.061712  0.832496  0.417929  1
  H  H43  1  0.238803  0.066106  0.430556  1
  H  H44  1  0.626294  0.085774  0.415404  1
  H  H45  1  0.851312  0.046438  0.445707  1
  H  H46  1  0.238803  0.566106  0.430556  1
  H  H47  1  0.626294  0.585774  0.415404  1
  H  H48  1  0.851312  0.546438  0.445707  1
  H  H49  1  0.124258  0.234157  0.493687  1
  H  H50  1  0.511749  0.253824  0.478535  1
  H  H51  1  0.899240  0.273492  0.463384  1
  H  H52  1  0.124258  0.734157  0.493687  1
  H  H53  1  0.511749  0.753824  0.478535  1
  H  H54  1  0.899240  0.773492  0.463384  1
  H  H55  1  0.076331  0.007102  0.476010  1
  H  H56  1  0.463821  0.026770  0.460859  1
  H  H57  1  0.688840  0.987435  0.491162  1
  H  H58  1  0.076331  0.507102  0.476010  1
  H  H59  1  0.463821  0.526770  0.460859  1
  H  H60  1  0.688840  0.487435  0.491162  1
  H  H61  1  0.961786  0.175153  0.539141  1
  H  H62  1  0.349276  0.194821  0.523990  1
  H  H63  1  0.736767  0.214489  0.508838  1
  H  H64  1  0.961786  0.675153  0.539141  1
  H  H65  1  0.349276  0.694821  0.523990  1
  H  H66  1  0.736767  0.714489  0.508838  1
  H  H67  1  0.913858  0.948099  0.521465  1
  H  H68  1  0.301349  0.967767  0.506313  1
  H  H69  1  0.526367  0.928431  0.536616  1
  H  H70  1  0.913858  0.448099  0.521465  1
  H  H71  1  0.301349  0.467767  0.506313  1
  H  H72  1  0.526367  0.428431  0.536616  1
  H  H73  1  0.799313  0.116150  0.584596  1
  H  H74  1  0.186804  0.135817  0.569444  1
  H  H75  1  0.574295  0.155485  0.554293  1
  H  H76  1  0.799313  0.616150  0.584596  1
  H  H77  1  0.186804  0.635817  0.569444  1
  H  H78  1  0.574295  0.655485  0.554293  1
  H  H79  1  0.751386  0.889095  0.566919  1
  H  H80  1  0.138877  0.908763  0.551768  1
  H  H81  1  0.363895  0.869428  0.582071  1
  H  H82  1  0.751386  0.389095  0.566919  1
  H  H83  1  0.138877  0.408763  0.551768  1
  H  H84  1  0.363895  0.369428  0.582071  1
  H  H85  1  0.636841  0.057146  0.630051  1
  H  H86  1  0.024332  0.076814  0.614899  1
  H  H87  1  0.411822  0.096482  0.599747  1
  H  H88  1  0.636841  0.557146  0.630051  1
  H  H89  1  0.024332  0.576814  0.614899  1
  H  H90  1  0.411822  0.596482  0.599747  1
  H  H91  1  0.588913  0.830092  0.612374  1
  H  H92  1  0.976404  0.849760  0.597222  1
  H  H93  1  0.201423  0.810424  0.627525  1
  H  H94  1  0.588913  0.330092  0.612374  1
  H  H95  1  0.976404  0.349760  0.597222  1
  H  H96  1  0.201423  0.310424  0.627525  1
  H  H97  1  0.474368  0.998143  0.675505  1
  H  H98  1  0.861859  0.017810  0.660354  1
  H  H99  1  0.249350  0.037478  0.645202  1
  H  H100  1  0.474368  0.498143  0.675505  1
  H  H101  1  0.861859  0.517810  0.660354  1
  H  H102  1  0.249350  0.537478  0.645202  1
  H  H103  1  0.426441  0.771088  0.657828  1
  H  H104  1  0.813932  0.790756  0.642677  1
  H  H105  1  0.038950  0.751421  0.672980  1
  H  H106  1  0.426441  0.271088  0.657828  1
  H  H107  1  0.813932  0.290756  0.642677  1
  H  H108  1  0.038950  0.251421  0.672980  1
  H  H109  1  0.311896  0.939139  0.720960  1
  H  H110  1  0.699387  0.958807  0.705808  1
  H  H111  1  0.086878  0.978475  0.690657  1
  H  H112  1  0.311896  0.439139  0.720960  1
  H  H113  1  0.699387  0.458807  0.705808  1
  H  H114  1  0.086878  0.478475  0.690657  1
  H  H115  1  0.263969  0.712085  0.703283  1
  H  H116  1  0.651459  0.731753  0.688131  1
  H  H117  1  0.876478  0.692417  0.718434  1
  H  H118  1  0.263969  0.212085  0.703283  1
  H  H119  1  0.651459  0.231753  0.688131  1
  H  H120  1  0.876478  0.192417  0.718434  1
