# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84157320
_cell_length_b   15.19406733
_cell_length_c   48.78571528
_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   3588.83280434
_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  0.275333  0.333183  1
  H  H2  1  0.500000  0.082872  0.281901  1
  H  H3  1  0.500000  0.679102  0.307542  1
  H  H4  1  0.500000  0.449595  0.313002  1
  H  H5  1  0.500000  0.045825  0.338643  1
  H  H6  1  0.500000  0.853364  0.287361  1
  H  H7  1  0.500000  0.263713  0.276741  1
  H  H8  1  0.500000  0.859943  0.302382  1
  H  H9  1  0.500000  0.456174  0.328023  1
  H  H10  1  0.500000  0.226666  0.333483  1
  H  H11  1  0.500000  0.034205  0.282201  1
  H  H12  1  0.500000  0.630435  0.307842  1
  H  H13  1  0.000000  0.380987  0.294722  1
  H  H14  1  0.000000  0.977218  0.320363  1
  H  H15  1  0.000000  0.573449  0.346004  1
  H  H16  1  0.000000  0.555248  0.274541  1
  H  H17  1  0.000000  0.151479  0.300182  1
  H  H18  1  0.000000  0.747710  0.325823  1
  H  H19  1  0.000000  0.158059  0.315203  1
  H  H20  1  0.000000  0.754289  0.340844  1
  H  H21  1  0.000000  0.561828  0.289562  1
  H  H22  1  0.000000  0.332320  0.295022  1
  H  H23  1  0.000000  0.928551  0.320663  1
  H  H24  1  0.000000  0.736089  0.269381  1
  H  H25  1  0.500000  0.064025  0.410106  1
  H  H26  1  0.500000  0.871564  0.358824  1
  H  H27  1  0.500000  0.467795  0.384465  1
  H  H28  1  0.500000  0.238287  0.389925  1
  H  H29  1  0.500000  0.834518  0.415566  1
  H  H30  1  0.500000  0.642056  0.364284  1
  H  H31  1  0.500000  0.052405  0.353664  1
  H  H32  1  0.500000  0.648636  0.379305  1
  H  H33  1  0.500000  0.244866  0.404946  1
  H  H34  1  0.500000  0.015358  0.410407  1
  H  H35  1  0.500000  0.822897  0.359125  1
  H  H36  1  0.500000  0.419128  0.384766  1
  H  H37  1  0.000000  0.169679  0.371645  1
  H  H38  1  0.000000  0.765910  0.397286  1
  H  H39  1  0.000000  0.362141  0.422927  1
  H  H40  1  0.000000  0.343941  0.351464  1
  H  H41  1  0.000000  0.940171  0.377105  1
  H  H42  1  0.000000  0.536402  0.402746  1
  H  H43  1  0.000000  0.946751  0.392126  1
  H  H44  1  0.000000  0.542982  0.417767  1
  H  H45  1  0.000000  0.350520  0.366485  1
  H  H46  1  0.000000  0.121012  0.371945  1
  H  H47  1  0.000000  0.717243  0.397586  1
  H  H48  1  0.000000  0.524782  0.346304  1
  H  H49  1  0.500000  0.852718  0.487029  1
  H  H50  1  0.500000  0.660256  0.435747  1
  H  H51  1  0.500000  0.256487  0.461388  1
  H  H52  1  0.500000  0.026979  0.466849  1
  H  H53  1  0.500000  0.623210  0.492490  1
  H  H54  1  0.500000  0.430748  0.441207  1
  H  H55  1  0.500000  0.841097  0.430587  1
  H  H56  1  0.500000  0.437328  0.456228  1
  H  H57  1  0.500000  0.033559  0.481869  1
  H  H58  1  0.500000  0.804051  0.487330  1
  H  H59  1  0.500000  0.611589  0.436048  1
  H  H60  1  0.500000  0.207820  0.461689  1
  H  H61  1  0.000000  0.958372  0.448568  1
  H  H62  1  0.000000  0.554602  0.474209  1
  H  H63  1  0.000000  0.150833  0.499850  1
  H  H64  1  0.000000  0.132633  0.428387  1
  H  H65  1  0.000000  0.728864  0.454028  1
  H  H66  1  0.000000  0.325094  0.479669  1
  H  H67  1  0.000000  0.735443  0.469049  1
  H  H68  1  0.000000  0.331674  0.494690  1
  H  H69  1  0.000000  0.139212  0.443408  1
  H  H70  1  0.000000  0.909705  0.448868  1
  H  H71  1  0.000000  0.505935  0.474509  1
  H  H72  1  0.000000  0.313474  0.423227  1
  H  H73  1  0.500000  0.641410  0.563952  1
  H  H74  1  0.500000  0.448948  0.512670  1
  H  H75  1  0.500000  0.045179  0.538311  1
  H  H76  1  0.500000  0.815671  0.543772  1
  H  H77  1  0.500000  0.411902  0.569413  1
  H  H78  1  0.500000  0.219441  0.518131  1
  H  H79  1  0.500000  0.629789  0.507510  1
  H  H80  1  0.500000  0.226020  0.533151  1
  H  H81  1  0.500000  0.822251  0.558793  1
  H  H82  1  0.500000  0.592743  0.564253  1
  H  H83  1  0.500000  0.400281  0.512971  1
  H  H84  1  0.500000  0.996512  0.538612  1
  H  H85  1  0.000000  0.747064  0.525491  1
  H  H86  1  0.000000  0.343295  0.551132  1
  H  H87  1  0.000000  0.939525  0.576773  1
  H  H88  1  0.000000  0.921325  0.505310  1
  H  H89  1  0.000000  0.517556  0.530951  1
  H  H90  1  0.000000  0.113787  0.556592  1
  H  H91  1  0.000000  0.524135  0.545972  1
  H  H92  1  0.000000  0.120366  0.571613  1
  H  H93  1  0.000000  0.927905  0.520331  1
  H  H94  1  0.000000  0.698397  0.525791  1
  H  H95  1  0.000000  0.294628  0.551432  1
  H  H96  1  0.000000  0.102166  0.500150  1
  H  H97  1  0.500000  0.430102  0.640875  1
  H  H98  1  0.500000  0.237641  0.589593  1
  H  H99  1  0.500000  0.833871  0.615234  1
  H  H100  1  0.500000  0.604364  0.620695  1
  H  H101  1  0.500000  0.200594  0.646336  1
  H  H102  1  0.500000  0.008133  0.595054  1
  H  H103  1  0.500000  0.418482  0.584434  1
  H  H104  1  0.500000  0.014712  0.610075  1
  H  H105  1  0.500000  0.610943  0.635716  1
  H  H106  1  0.500000  0.381435  0.641176  1
  H  H107  1  0.500000  0.188974  0.589894  1
  H  H108  1  0.500000  0.785204  0.615535  1
  H  H109  1  0.000000  0.535756  0.602414  1
  H  H110  1  0.000000  0.131987  0.628055  1
  H  H111  1  0.000000  0.728218  0.653696  1
  H  H112  1  0.000000  0.710017  0.582233  1
  H  H113  1  0.000000  0.306248  0.607874  1
  H  H114  1  0.000000  0.902479  0.633515  1
  H  H115  1  0.000000  0.312828  0.622895  1
  H  H116  1  0.000000  0.909058  0.648536  1
  H  H117  1  0.000000  0.716597  0.597254  1
  H  H118  1  0.000000  0.487089  0.602714  1
  H  H119  1  0.000000  0.083320  0.628355  1
  H  H120  1  0.000000  0.890858  0.577073  1
  H  H121  1  0.500000  0.218794  0.717799  1
  H  H122  1  0.500000  0.026333  0.666517  1
  H  H123  1  0.500000  0.622564  0.692158  1
  H  H124  1  0.500000  0.393056  0.697618  1
  H  H125  1  0.500000  0.989286  0.723259  1
  H  H126  1  0.500000  0.796825  0.671977  1
  H  H127  1  0.500000  0.207174  0.661357  1
  H  H128  1  0.500000  0.803405  0.686998  1
  H  H129  1  0.500000  0.399635  0.712639  1
  H  H130  1  0.500000  0.170127  0.718099  1
  H  H131  1  0.500000  0.977666  0.666817  1
  H  H132  1  0.500000  0.573897  0.692458  1
  H  H133  1  0.000000  0.324448  0.679337  1
  H  H134  1  0.000000  0.920679  0.704978  1
  H  H135  1  0.000000  0.516910  0.730619  1
  H  H136  1  0.000000  0.498710  0.659156  1
  H  H137  1  0.000000  0.094940  0.684797  1
  H  H138  1  0.000000  0.691171  0.710438  1
  H  H139  1  0.000000  0.101520  0.699818  1
  H  H140  1  0.000000  0.697751  0.725459  1
  H  H141  1  0.000000  0.505289  0.674177  1
  H  H142  1  0.000000  0.275781  0.679637  1
  H  H143  1  0.000000  0.872012  0.705278  1
  H  H144  1  0.000000  0.679551  0.653996  1
