# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.12561025
_cell_length_b   6.31518061
_cell_length_c   55.50912848
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H132
_cell_volume   2848.43407148
_cell_formula_units_Z   66
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  0.345152  0.843632  0.227233  1
  H  H2  1  0.353340  0.568075  0.200330  1
  H  H3  1  0.346608  0.197410  0.213020  1
  H  H4  1  0.597367  0.639150  0.226264  1
  H  H5  1  0.597367  0.358164  0.199770  1
  H  H6  1  0.597367  0.990346  0.212151  1
  H  H7  1  0.849583  0.843632  0.227233  1
  H  H8  1  0.841395  0.568075  0.200330  1
  H  H9  1  0.848127  0.197410  0.213020  1
  H  H10  1  0.097367  1.050462  0.228430  1
  H  H11  1  0.097367  0.772332  0.201632  1
  H  H12  1  0.097367  0.406173  0.214298  1
  H  H13  1  0.347486  0.759462  0.267198  1
  H  H14  1  0.347350  0.479271  0.240491  1
  H  H15  1  0.347233  1.121712  0.253902  1
  H  H16  1  0.597367  0.557422  0.266299  1
  H  H17  1  0.597367  0.276291  0.239759  1
  H  H18  1  0.597367  0.918921  0.253018  1
  H  H19  1  0.847248  0.759462  0.267198  1
  H  H20  1  0.847385  0.479271  0.240491  1
  H  H21  1  0.847502  1.121712  0.253902  1
  H  H22  1  0.097367  0.962147  0.268192  1
  H  H23  1  0.097367  0.682670  0.241806  1
  H  H24  1  0.097367  0.325051  0.254951  1
  H  H25  1  0.347328  0.677869  0.307397  1
  H  H26  1  0.347405  0.399493  0.280646  1
  H  H27  1  0.347353  1.038257  0.293970  1
  H  H28  1  0.597367  0.476250  0.306549  1
  H  H29  1  0.597367  0.197373  0.279861  1
  H  H30  1  0.597367  0.836439  0.293142  1
  H  H31  1  0.847407  0.677869  0.307397  1
  H  H32  1  0.847330  0.399493  0.280646  1
  H  H33  1  0.847381  1.038257  0.293970  1
  H  H34  1  0.097367  0.879850  0.308309  1
  H  H35  1  0.097367  0.601583  0.281697  1
  H  H36  1  0.097367  0.240303  0.294917  1
  H  H37  1  0.347371  0.595471  0.347549  1
  H  H38  1  0.347420  0.316887  0.320769  1
  H  H39  1  0.347340  0.956301  0.334161  1
  H  H40  1  0.597367  0.393847  0.346711  1
  H  H41  1  0.597367  1.115147  0.319961  1
  H  H42  1  0.597367  0.754645  0.333338  1
  H  H43  1  0.847363  0.595471  0.347549  1
  H  H44  1  0.847315  0.316887  0.320769  1
  H  H45  1  0.847395  0.956301  0.334161  1
  H  H46  1  0.097367  0.797242  0.348423  1
  H  H47  1  0.097367  0.518641  0.321706  1
  H  H48  1  0.097367  0.158075  0.335053  1
  H  H49  1  0.347362  0.513253  0.387709  1
  H  H50  1  0.347372  0.234769  0.360935  1
  H  H51  1  0.347367  0.873995  0.374319  1
  H  H52  1  0.597367  0.311616  0.386868  1
  H  H53  1  0.597367  1.033108  0.360113  1
  H  H54  1  0.597367  0.672331  0.373489  1
  H  H55  1  0.847373  0.513253  0.387709  1
  H  H56  1  0.847363  0.234769  0.360935  1
  H  H57  1  0.847368  0.873995  0.374319  1
  H  H58  1  0.097367  0.714956  0.388559  1
  H  H59  1  0.097367  0.436457  0.361817  1
  H  H60  1  0.097367  1.075695  0.375181  1
  H  H61  1  0.347362  0.430986  0.427864  1
  H  H62  1  0.347373  0.152494  0.401091  1
  H  H63  1  0.347367  0.791740  0.414478  1
  H  H64  1  0.597367  0.229322  0.427010  1
  H  H65  1  0.597367  0.950818  0.400255  1
  H  H66  1  0.597367  0.590067  0.413635  1
  H  H67  1  0.847373  0.430986  0.427864  1
  H  H68  1  0.847362  0.152494  0.401091  1
  H  H69  1  0.847367  0.791740  0.414478  1
  H  H70  1  0.097367  0.632662  0.428700  1
  H  H71  1  0.097367  0.354158  0.401945  1
  H  H72  1  0.097367  0.993412  0.415320  1
  H  H73  1  0.347363  0.348710  0.468020  1
  H  H74  1  0.347373  1.070226  0.441247  1
  H  H75  1  0.347368  0.709485  0.454636  1
  H  H76  1  0.597367  0.147022  0.467139  1
  H  H77  1  0.597367  0.868524  0.440396  1
  H  H78  1  0.597367  0.507784  0.453775  1
  H  H79  1  0.847372  0.348710  0.468020  1
  H  H80  1  0.847362  1.070226  0.441247  1
  H  H81  1  0.847367  0.709485  0.454636  1
  H  H82  1  0.097367  0.550372  0.468842  1
  H  H83  1  0.097367  0.271864  0.442088  1
  H  H84  1  0.097367  0.911149  0.455467  1
  H  H85  1  0.347315  0.266593  0.508186  1
  H  H86  1  0.347363  0.988008  0.481406  1
  H  H87  1  0.347395  0.627179  0.494795  1
  H  H88  1  0.597367  1.064838  0.507250  1
  H  H89  1  0.597367  0.786237  0.480533  1
  H  H90  1  0.597367  0.425405  0.493903  1
  H  H91  1  0.847420  0.266593  0.508186  1
  H  H92  1  0.847371  0.988008  0.481406  1
  H  H93  1  0.847340  0.627179  0.494795  1
  H  H94  1  0.097367  0.468333  0.508995  1
  H  H95  1  0.097367  0.189632  0.482245  1
  H  H96  1  0.097367  0.828835  0.495617  1
  H  H97  1  0.347330  0.183987  0.548309  1
  H  H98  1  0.347407  0.905610  0.521558  1
  H  H99  1  0.347381  0.545223  0.534985  1
  H  H100  1  0.597367  0.981896  0.547258  1
  H  H101  1  0.597367  0.703630  0.520646  1
  H  H102  1  0.597367  0.343177  0.534038  1
  H  H103  1  0.847405  0.183987  0.548309  1
  H  H104  1  0.847328  0.905610  0.521558  1
  H  H105  1  0.847353  0.545223  0.534985  1
  H  H106  1  0.097367  0.386107  0.549094  1
  H  H107  1  0.097367  1.107230  0.522406  1
  H  H108  1  0.097367  0.747041  0.535813  1
  H  H109  1  0.347385  1.104209  0.588464  1
  H  H110  1  0.347248  0.824017  0.561757  1
  H  H111  1  0.347502  0.461768  0.575054  1
  H  H112  1  0.597367  0.900809  0.587149  1
  H  H113  1  0.597367  0.621332  0.560764  1
  H  H114  1  0.597367  0.258429  0.574005  1
  H  H115  1  0.847350  1.104209  0.588464  1
  H  H116  1  0.847486  0.824017  0.561757  1
  H  H117  1  0.847233  0.461768  0.575054  1
  H  H118  1  0.097367  0.307188  0.589197  1
  H  H119  1  0.097367  1.026058  0.562656  1
  H  H120  1  0.097367  0.664559  0.575937  1
  H  H121  1  0.341395  1.015405  0.628625  1
  H  H122  1  0.349583  0.739847  0.601722  1
  H  H123  1  0.348127  0.386070  0.615935  1
  H  H124  1  0.597367  0.811147  0.627323  1
  H  H125  1  0.597367  0.533017  0.600525  1
  H  H126  1  0.597367  0.177307  0.614658  1
  H  H127  1  0.853340  1.015405  0.628625  1
  H  H128  1  0.845152  0.739847  0.601722  1
  H  H129  1  0.846608  0.386070  0.615935  1
  H  H130  1  0.097367  0.225315  0.629185  1
  H  H131  1  0.097367  0.944329  0.602692  1
  H  H132  1  0.097367  0.593134  0.616805  1
