# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84157320
_cell_length_b   16.69620083
_cell_length_c   47.81165163
_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   H144
_cell_volume   3864.89686488
_cell_formula_units_Z   72
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  0.500000  0.630106  0.300374  1
  H  H2  1  0.500000  0.998861  0.324183  1
  H  H3  1  0.500000  0.367613  0.347993  1
  H  H4  1  0.500000  0.536735  0.349645  1
  H  H5  1  0.500000  0.799230  0.302025  1
  H  H6  1  0.500000  0.167983  0.325835  1
  H  H7  1  0.500000  0.788349  0.317021  1
  H  H8  1  0.500000  0.157102  0.340830  1
  H  H9  1  0.500000  0.419591  0.293211  1
  H  H10  1  0.500000  0.588715  0.294862  1
  H  H11  1  0.500000  0.957471  0.318672  1
  H  H12  1  0.500000  0.326224  0.342482  1
  H  H13  1  0.000000  0.498861  0.324183  1
  H  H14  1  0.000000  0.867613  0.347993  1
  H  H15  1  0.000000  0.130106  0.300374  1
  H  H16  1  0.000000  0.667983  0.325835  1
  H  H17  1  0.000000  0.036735  0.349645  1
  H  H18  1  0.000000  0.299230  0.302025  1
  H  H19  1  0.000000  0.657102  0.340830  1
  H  H20  1  0.000000  0.919591  0.293211  1
  H  H21  1  0.000000  0.288349  0.317021  1
  H  H22  1  0.000000  0.826224  0.342482  1
  H  H23  1  0.000000  0.088715  0.294862  1
  H  H24  1  0.000000  0.457471  0.318672  1
  H  H25  1  0.500000  0.736365  0.371804  1
  H  H26  1  0.500000  0.105118  0.395614  1
  H  H27  1  0.500000  0.473871  0.419423  1
  H  H28  1  0.500000  0.642994  0.421074  1
  H  H29  1  0.500000  0.905488  0.373455  1
  H  H30  1  0.500000  0.274241  0.397264  1
  H  H31  1  0.500000  0.894607  0.388450  1
  H  H32  1  0.500000  0.263360  0.412259  1
  H  H33  1  0.500000  0.525854  0.364640  1
  H  H34  1  0.500000  0.694977  0.366291  1
  H  H35  1  0.500000  0.063730  0.390101  1
  H  H36  1  0.500000  0.432483  0.413910  1
  H  H37  1  0.000000  0.605118  0.395614  1
  H  H38  1  0.000000  0.973871  0.419423  1
  H  H39  1  0.000000  0.236365  0.371804  1
  H  H40  1  0.000000  0.774241  0.397264  1
  H  H41  1  0.000000  0.142994  0.421074  1
  H  H42  1  0.000000  0.405488  0.373455  1
  H  H43  1  0.000000  0.763360  0.412259  1
  H  H44  1  0.000000  0.025854  0.364640  1
  H  H45  1  0.000000  0.394607  0.388450  1
  H  H46  1  0.000000  0.932483  0.413910  1
  H  H47  1  0.000000  0.194977  0.366291  1
  H  H48  1  0.000000  0.563730  0.390101  1
  H  H49  1  0.500000  0.842624  0.443233  1
  H  H50  1  0.500000  0.211377  0.467042  1
  H  H51  1  0.500000  0.580130  0.490852  1
  H  H52  1  0.500000  0.749252  0.492502  1
  H  H53  1  0.500000  0.011747  0.444883  1
  H  H54  1  0.500000  0.380500  0.468693  1
  H  H55  1  0.500000  0.000866  0.459878  1
  H  H56  1  0.500000  0.369619  0.483688  1
  H  H57  1  0.500000  0.632113  0.436069  1
  H  H58  1  0.500000  0.801236  0.437720  1
  H  H59  1  0.500000  0.169989  0.461529  1
  H  H60  1  0.500000  0.538742  0.485339  1
  H  H61  1  0.000000  0.711377  0.467042  1
  H  H62  1  0.000000  0.080130  0.490852  1
  H  H63  1  0.000000  0.342624  0.443233  1
  H  H64  1  0.000000  0.880500  0.468693  1
  H  H65  1  0.000000  0.249252  0.492502  1
  H  H66  1  0.000000  0.511747  0.444883  1
  H  H67  1  0.000000  0.869619  0.483688  1
  H  H68  1  0.000000  0.132113  0.436069  1
  H  H69  1  0.000000  0.500866  0.459878  1
  H  H70  1  0.000000  0.038742  0.485339  1
  H  H71  1  0.000000  0.301236  0.437720  1
  H  H72  1  0.000000  0.669989  0.461529  1
  H  H73  1  0.500000  0.948883  0.514661  1
  H  H74  1  0.500000  0.317636  0.538471  1
  H  H75  1  0.500000  0.686389  0.562280  1
  H  H76  1  0.500000  0.855511  0.563931  1
  H  H77  1  0.500000  0.118005  0.516312  1
  H  H78  1  0.500000  0.486758  0.540122  1
  H  H79  1  0.500000  0.107125  0.531307  1
  H  H80  1  0.500000  0.475878  0.555117  1
  H  H81  1  0.500000  0.738372  0.507498  1
  H  H82  1  0.500000  0.907495  0.509148  1
  H  H83  1  0.500000  0.276248  0.532958  1
  H  H84  1  0.500000  0.645001  0.556767  1
  H  H85  1  0.000000  0.817636  0.538471  1
  H  H86  1  0.000000  0.186389  0.562280  1
  H  H87  1  0.000000  0.448883  0.514661  1
  H  H88  1  0.000000  0.986758  0.540122  1
  H  H89  1  0.000000  0.355511  0.563931  1
  H  H90  1  0.000000  0.618005  0.516312  1
  H  H91  1  0.000000  0.975878  0.555117  1
  H  H92  1  0.000000  0.238372  0.507498  1
  H  H93  1  0.000000  0.607125  0.531307  1
  H  H94  1  0.000000  0.145001  0.556767  1
  H  H95  1  0.000000  0.407495  0.509148  1
  H  H96  1  0.000000  0.776248  0.532958  1
  H  H97  1  0.500000  0.055142  0.586090  1
  H  H98  1  0.500000  0.423895  0.609899  1
  H  H99  1  0.500000  0.792648  0.633709  1
  H  H100  1  0.500000  0.961770  0.635360  1
  H  H101  1  0.500000  0.224264  0.587741  1
  H  H102  1  0.500000  0.593017  0.611550  1
  H  H103  1  0.500000  0.213384  0.602736  1
  H  H104  1  0.500000  0.582137  0.626545  1
  H  H105  1  0.500000  0.844631  0.578926  1
  H  H106  1  0.500000  0.013754  0.580577  1
  H  H107  1  0.500000  0.382507  0.604386  1
  H  H108  1  0.500000  0.751259  0.628196  1
  H  H109  1  0.000000  0.923895  0.609899  1
  H  H110  1  0.000000  0.292648  0.633709  1
  H  H111  1  0.000000  0.555142  0.586090  1
  H  H112  1  0.000000  0.093017  0.611550  1
  H  H113  1  0.000000  0.461770  0.635360  1
  H  H114  1  0.000000  0.724264  0.587741  1
  H  H115  1  0.000000  0.082137  0.626545  1
  H  H116  1  0.000000  0.344631  0.578926  1
  H  H117  1  0.000000  0.713384  0.602736  1
  H  H118  1  0.000000  0.251259  0.628196  1
  H  H119  1  0.000000  0.513754  0.580577  1
  H  H120  1  0.000000  0.882507  0.604386  1
  H  H121  1  0.500000  0.161401  0.657518  1
  H  H122  1  0.500000  0.530154  0.681328  1
  H  H123  1  0.500000  0.898909  0.705138  1
  H  H124  1  0.500000  0.068034  0.706789  1
  H  H125  1  0.500000  0.330523  0.659170  1
  H  H126  1  0.500000  0.699276  0.682979  1
  H  H127  1  0.500000  0.319642  0.674165  1
  H  H128  1  0.500000  0.688395  0.697975  1
  H  H129  1  0.500000  0.950890  0.650355  1
  H  H130  1  0.500000  0.120011  0.652007  1
  H  H131  1  0.500000  0.488764  0.675817  1
  H  H132  1  0.500000  0.857519  0.699626  1
  H  H133  1  0.000000  0.030154  0.681328  1
  H  H134  1  0.000000  0.398909  0.705138  1
  H  H135  1  0.000000  0.661401  0.657518  1
  H  H136  1  0.000000  0.199276  0.682979  1
  H  H137  1  0.000000  0.568034  0.706789  1
  H  H138  1  0.000000  0.830523  0.659170  1
  H  H139  1  0.000000  0.188395  0.697975  1
  H  H140  1  0.000000  0.450890  0.650355  1
  H  H141  1  0.000000  0.819642  0.674165  1
  H  H142  1  0.000000  0.357519  0.699626  1
  H  H143  1  0.000000  0.620011  0.652007  1
  H  H144  1  0.000000  0.988764  0.675817  1
