# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14663366
_cell_length_b   6.30293055
_cell_length_c   55.71712876
_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   2860.9445287
_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  0.097298  1.051990  0.227952  1
  H  H2  1  0.097298  0.774218  0.201150  1
  H  H3  1  0.097298  0.407628  0.213787  1
  H  H4  1  0.849484  0.844573  0.226676  1
  H  H5  1  0.841277  0.569325  0.199754  1
  H  H6  1  0.848127  0.198198  0.212427  1
  H  H7  1  0.597298  0.639895  0.225726  1
  H  H8  1  0.597298  0.359137  0.199254  1
  H  H9  1  0.597298  0.990943  0.211589  1
  H  H10  1  0.345112  0.844573  0.226676  1
  H  H11  1  0.353318  0.569325  0.199754  1
  H  H12  1  0.346469  0.198198  0.212427  1
  H  H13  1  0.097298  0.963888  0.267638  1
  H  H14  1  0.097298  0.684307  0.241270  1
  H  H15  1  0.097298  0.326816  0.254405  1
  H  H16  1  0.847182  0.760706  0.266579  1
  H  H17  1  0.847367  0.480295  0.239870  1
  H  H18  1  0.847443  1.122907  0.253288  1
  H  H19  1  0.597298  0.558400  0.265681  1
  H  H20  1  0.597298  0.277086  0.239169  1
  H  H21  1  0.597298  0.919860  0.252413  1
  H  H22  1  0.347414  0.760706  0.266579  1
  H  H23  1  0.347229  0.480295  0.239870  1
  H  H24  1  0.347153  1.122907  0.253288  1
  H  H25  1  0.097298  0.881849  0.307695  1
  H  H26  1  0.097298  0.603450  0.281115  1
  H  H27  1  0.097298  0.242241  0.294314  1
  H  H28  1  0.847340  0.679464  0.306733  1
  H  H29  1  0.847273  0.400900  0.280001  1
  H  H30  1  0.847322  1.039765  0.293318  1
  H  H31  1  0.597298  0.477557  0.305877  1
  H  H32  1  0.597298  0.198489  0.279222  1
  H  H33  1  0.597298  0.837651  0.292483  1
  H  H34  1  0.347256  0.679464  0.306733  1
  H  H35  1  0.347323  0.400900  0.280001  1
  H  H36  1  0.347274  1.039765  0.293318  1
  H  H37  1  0.097298  0.799495  0.347751  1
  H  H38  1  0.097298  0.520727  0.321069  1
  H  H39  1  0.097298  0.160253  0.334397  1
  H  H40  1  0.847296  0.597377  0.346841  1
  H  H41  1  0.847253  0.318601  0.320087  1
  H  H42  1  0.847329  0.958111  0.333467  1
  H  H43  1  0.597298  0.395458  0.345987  1
  H  H44  1  0.597298  1.116562  0.319271  1
  H  H45  1  0.597298  0.756158  0.332631  1
  H  H46  1  0.347300  0.597377  0.346841  1
  H  H47  1  0.347343  0.318601  0.320087  1
  H  H48  1  0.347266  0.958111  0.333467  1
  H  H49  1  0.097298  0.717480  0.387834  1
  H  H50  1  0.097298  0.438802  0.361126  1
  H  H51  1  0.097298  1.078132  0.374472  1
  H  H52  1  0.847304  0.515455  0.386956  1
  H  H53  1  0.847296  0.236779  0.360211  1
  H  H54  1  0.847300  0.876101  0.373581  1
  H  H55  1  0.597298  0.313514  0.386094  1
  H  H56  1  0.597298  1.034816  0.359373  1
  H  H57  1  0.597298  0.674136  0.372732  1
  H  H58  1  0.347292  0.515455  0.386956  1
  H  H59  1  0.347300  0.236779  0.360211  1
  H  H60  1  0.347296  0.876101  0.373581  1
  H  H61  1  0.097298  0.635464  0.427923  1
  H  H62  1  0.097298  0.356774  0.401203  1
  H  H63  1  0.097298  0.996123  0.414560  1
  H  H64  1  0.847303  0.433479  0.427066  1
  H  H65  1  0.847293  0.154796  0.400322  1
  H  H66  1  0.847298  0.794137  0.413694  1
  H  H67  1  0.597298  0.231501  0.426186  1
  H  H68  1  0.597298  0.952811  0.399465  1
  H  H69  1  0.597298  0.592152  0.412828  1
  H  H70  1  0.347293  0.433479  0.427066  1
  H  H71  1  0.347303  0.154796  0.400322  1
  H  H72  1  0.347298  0.794137  0.413694  1
  H  H73  1  0.097298  0.553459  0.468015  1
  H  H74  1  0.097298  0.274760  0.441294  1
  H  H75  1  0.097298  0.914139  0.454657  1
  H  H76  1  0.847300  0.351496  0.467178  1
  H  H77  1  0.847292  1.072820  0.440433  1
  H  H78  1  0.847296  0.712174  0.453808  1
  H  H79  1  0.597298  0.149473  0.466262  1
  H  H80  1  0.597298  0.870795  0.439554  1
  H  H81  1  0.597298  0.510143  0.452916  1
  H  H82  1  0.347296  0.351496  0.467178  1
  H  H83  1  0.347304  1.072820  0.440433  1
  H  H84  1  0.347300  0.712174  0.453808  1
  H  H85  1  0.097298  0.471713  0.508118  1
  H  H86  1  0.097298  0.192817  0.481401  1
  H  H87  1  0.097298  0.832117  0.494758  1
  H  H88  1  0.847343  0.269673  0.507302  1
  H  H89  1  0.847300  0.990898  0.480548  1
  H  H90  1  0.847266  0.630164  0.493922  1
  H  H91  1  0.597298  1.067548  0.506319  1
  H  H92  1  0.597298  0.788780  0.479637  1
  H  H93  1  0.597298  0.428022  0.492992  1
  H  H94  1  0.347253  0.269673  0.507302  1
  H  H95  1  0.347296  0.990898  0.480548  1
  H  H96  1  0.347329  0.630164  0.493922  1
  H  H97  1  0.097298  0.389786  0.548166  1
  H  H98  1  0.097298  1.110718  0.521512  1
  H  H99  1  0.097298  0.750624  0.534905  1
  H  H100  1  0.847323  0.187375  0.547387  1
  H  H101  1  0.847256  0.908810  0.520655  1
  H  H102  1  0.847274  0.548510  0.534071  1
  H  H103  1  0.597298  0.984825  0.546273  1
  H  H104  1  0.597298  0.706426  0.519693  1
  H  H105  1  0.597298  0.346034  0.533074  1
  H  H106  1  0.347273  0.187375  0.547387  1
  H  H107  1  0.347340  0.908810  0.520655  1
  H  H108  1  0.347322  0.548510  0.534071  1
  H  H109  1  0.097298  0.311189  0.588220  1
  H  H110  1  0.097298  1.029874  0.561707  1
  H  H111  1  0.097298  0.668415  0.574975  1
  H  H112  1  0.847229  1.107980  0.587518  1
  H  H113  1  0.847414  0.827569  0.560810  1
  H  H114  1  0.847153  0.465368  0.574100  1
  H  H115  1  0.597298  0.903968  0.586118  1
  H  H116  1  0.597298  0.624387  0.559750  1
  H  H117  1  0.597298  0.261459  0.572984  1
  H  H118  1  0.347367  1.107980  0.587518  1
  H  H119  1  0.347182  0.827569  0.560810  1
  H  H120  1  0.347443  0.465368  0.574100  1
  H  H121  1  0.097298  0.229138  0.628134  1
  H  H122  1  0.097298  0.948380  0.601662  1
  H  H123  1  0.097298  0.597332  0.615799  1
  H  H124  1  0.853318  1.018950  0.627634  1
  H  H125  1  0.845112  0.743701  0.600713  1
  H  H126  1  0.846469  0.390076  0.614962  1
  H  H127  1  0.597298  0.814057  0.626239  1
  H  H128  1  0.597298  0.536285  0.599436  1
  H  H129  1  0.597298  0.180647  0.613602  1
  H  H130  1  0.341277  1.018950  0.627634  1
  H  H131  1  0.349484  0.743701  0.600713  1
  H  H132  1  0.348127  0.390076  0.614962  1
