# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08289171
_cell_length_b   7.62147164
_cell_length_c   46.78893676
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.27882181
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H126
_cell_volume   2131.29787449
_cell_formula_units_Z   63
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  0.950031  0.797829  0.295597  1
  H  H2  1  0.450031  0.797829  0.295597  1
  H  H3  1  0.804576  0.461346  0.288505  1
  H  H4  1  0.304576  0.461346  0.288505  1
  H  H5  1  0.659121  0.124863  0.281412  1
  H  H6  1  0.159121  0.124863  0.281412  1
  H  H7  1  0.892778  0.806330  0.314740  1
  H  H8  1  0.392778  0.806330  0.314740  1
  H  H9  1  0.747323  0.469847  0.307648  1
  H  H10  1  0.247323  0.469847  0.307648  1
  H  H11  1  0.601867  0.133364  0.300555  1
  H  H12  1  0.101867  0.133364  0.300555  1
  H  H13  1  0.825036  0.816389  0.337390  1
  H  H14  1  0.325036  0.816389  0.337390  1
  H  H15  1  0.679581  0.479906  0.330297  1
  H  H16  1  0.179581  0.479906  0.330297  1
  H  H17  1  0.534126  0.143423  0.323205  1
  H  H18  1  0.034126  0.143423  0.323205  1
  H  H19  1  0.762919  0.825612  0.358159  1
  H  H20  1  0.262919  0.825612  0.358159  1
  H  H21  1  0.617463  0.489129  0.351067  1
  H  H22  1  0.117463  0.489129  0.351067  1
  H  H23  1  0.472008  0.152646  0.343975  1
  H  H24  1  0.972008  0.152646  0.343975  1
  H  H25  1  0.698485  0.835180  0.379703  1
  H  H26  1  0.198485  0.835180  0.379703  1
  H  H27  1  0.553029  0.498697  0.372611  1
  H  H28  1  0.053029  0.498697  0.372611  1
  H  H29  1  0.407574  0.162214  0.365518  1
  H  H30  1  0.907574  0.162214  0.365518  1
  H  H31  1  0.635166  0.844581  0.400874  1
  H  H32  1  0.135166  0.844581  0.400874  1
  H  H33  1  0.489711  0.508099  0.393782  1
  H  H34  1  0.989711  0.508099  0.393782  1
  H  H35  1  0.344256  0.171616  0.386689  1
  H  H36  1  0.844256  0.171616  0.386689  1
  H  H37  1  0.571341  0.854058  0.422214  1
  H  H38  1  0.071341  0.854058  0.422214  1
  H  H39  1  0.425886  0.517576  0.415122  1
  H  H40  1  0.925886  0.517576  0.415122  1
  H  H41  1  0.280431  0.181093  0.408030  1
  H  H42  1  0.780431  0.181093  0.408030  1
  H  H43  1  0.507753  0.863500  0.443475  1
  H  H44  1  0.007753  0.863500  0.443475  1
  H  H45  1  0.362298  0.527017  0.436383  1
  H  H46  1  0.862298  0.527017  0.436383  1
  H  H47  1  0.216842  0.190534  0.429291  1
  H  H48  1  0.716842  0.190534  0.429291  1
  H  H49  1  0.444056  0.872958  0.464773  1
  H  H50  1  0.944056  0.872958  0.464773  1
  H  H51  1  0.298601  0.536475  0.457680  1
  H  H52  1  0.798601  0.536475  0.457680  1
  H  H53  1  0.153146  0.199992  0.450588  1
  H  H54  1  0.653146  0.199992  0.450588  1
  H  H55  1  0.380408  0.882409  0.486054  1
  H  H56  1  0.880408  0.882409  0.486054  1
  H  H57  1  0.234953  0.545926  0.478962  1
  H  H58  1  0.734953  0.545926  0.478962  1
  H  H59  1  0.089497  0.209443  0.471869  1
  H  H60  1  0.589497  0.209443  0.471869  1
  H  H61  1  0.316741  0.891863  0.507341  1
  H  H62  1  0.816741  0.891863  0.507341  1
  H  H63  1  0.171286  0.555380  0.500249  1
  H  H64  1  0.671286  0.555380  0.500249  1
  H  H65  1  0.025831  0.218897  0.493157  1
  H  H66  1  0.525831  0.218897  0.493157  1
  H  H67  1  0.253074  0.901316  0.528628  1
  H  H68  1  0.753074  0.901316  0.528628  1
  H  H69  1  0.107619  0.564833  0.521536  1
  H  H70  1  0.607619  0.564833  0.521536  1
  H  H71  1  0.962164  0.228350  0.514444  1
  H  H72  1  0.462164  0.228350  0.514444  1
  H  H73  1  0.189426  0.910767  0.549910  1
  H  H74  1  0.689426  0.910767  0.549910  1
  H  H75  1  0.043971  0.574284  0.542817  1
  H  H76  1  0.543971  0.574284  0.542817  1
  H  H77  1  0.898516  0.237801  0.535725  1
  H  H78  1  0.398516  0.237801  0.535725  1
  H  H79  1  0.125729  0.920225  0.571207  1
  H  H80  1  0.625729  0.920225  0.571207  1
  H  H81  1  0.980274  0.583742  0.564115  1
  H  H82  1  0.480274  0.583742  0.564115  1
  H  H83  1  0.834819  0.247259  0.557023  1
  H  H84  1  0.334819  0.247259  0.557023  1
  H  H85  1  0.062141  0.929667  0.592468  1
  H  H86  1  0.562141  0.929667  0.592468  1
  H  H87  1  0.916686  0.593184  0.585376  1
  H  H88  1  0.416686  0.593184  0.585376  1
  H  H89  1  0.771231  0.256701  0.578284  1
  H  H90  1  0.271231  0.256701  0.578284  1
  H  H91  1  0.998316  0.939144  0.613808  1
  H  H92  1  0.498316  0.939144  0.613808  1
  H  H93  1  0.852861  0.602661  0.606716  1
  H  H94  1  0.352861  0.602661  0.606716  1
  H  H95  1  0.707405  0.266178  0.599624  1
  H  H96  1  0.207405  0.266178  0.599624  1
  H  H97  1  0.934997  0.948545  0.634979  1
  H  H98  1  0.434997  0.948545  0.634979  1
  H  H99  1  0.789542  0.612063  0.627887  1
  H  H100  1  0.289542  0.612063  0.627887  1
  H  H101  1  0.644087  0.275580  0.620795  1
  H  H102  1  0.144087  0.275580  0.620795  1
  H  H103  1  0.870563  0.958113  0.656523  1
  H  H104  1  0.370563  0.958113  0.656523  1
  H  H105  1  0.725108  0.621630  0.649431  1
  H  H106  1  0.225108  0.621630  0.649431  1
  H  H107  1  0.579653  0.285147  0.642339  1
  H  H108  1  0.079653  0.285147  0.642339  1
  H  H109  1  0.808446  0.967336  0.677293  1
  H  H110  1  0.308446  0.967336  0.677293  1
  H  H111  1  0.662990  0.630854  0.670200  1
  H  H112  1  0.162990  0.630854  0.670200  1
  H  H113  1  0.517535  0.294371  0.663108  1
  H  H114  1  0.017535  0.294371  0.663108  1
  H  H115  1  0.740704  0.977395  0.699942  1
  H  H116  1  0.240704  0.977395  0.699942  1
  H  H117  1  0.595249  0.640912  0.692850  1
  H  H118  1  0.095249  0.640912  0.692850  1
  H  H119  1  0.449794  0.304429  0.685758  1
  H  H120  1  0.949794  0.304429  0.685758  1
  H  H121  1  0.683451  0.985896  0.719085  1
  H  H122  1  0.183451  0.985896  0.719085  1
  H  H123  1  0.537996  0.649413  0.711993  1
  H  H124  1  0.037996  0.649413  0.711993  1
  H  H125  1  0.392540  0.312930  0.704901  1
  H  H126  1  0.892540  0.312930  0.704901  1
