# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84157320
_cell_length_b   15.30789164
_cell_length_c   48.42296468
_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   3588.83306512
_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  0.429031  0.299115  1
  H  H2  1  0.500000  0.741296  0.273474  1
  H  H3  1  0.500000  0.116765  0.324756  1
  H  H4  1  0.500000  0.295428  0.339357  1
  H  H5  1  0.500000  0.607694  0.313716  1
  H  H6  1  0.500000  0.919959  0.288075  1
  H  H7  1  0.500000  0.585667  0.327310  1
  H  H8  1  0.500000  0.897933  0.301669  1
  H  H9  1  0.500000  0.210198  0.276028  1
  H  H10  1  0.500000  0.388861  0.290628  1
  H  H11  1  0.500000  0.764330  0.341910  1
  H  H12  1  0.500000  0.076596  0.316269  1
  H  H13  1  0.000000  0.272898  0.311936  1
  H  H14  1  0.000000  0.585163  0.286295  1
  H  H15  1  0.000000  0.960632  0.337577  1
  H  H16  1  0.000000  0.451561  0.326536  1
  H  H17  1  0.000000  0.763827  0.300895  1
  H  H18  1  0.000000  0.076092  0.275254  1
  H  H19  1  0.000000  0.429534  0.340130  1
  H  H20  1  0.000000  0.741800  0.314489  1
  H  H21  1  0.000000  0.054066  0.288848  1
  H  H22  1  0.000000  0.544994  0.277808  1
  H  H23  1  0.000000  0.920463  0.329090  1
  H  H24  1  0.000000  0.232729  0.303449  1
  H  H25  1  0.500000  0.492234  0.376038  1
  H  H26  1  0.500000  0.804500  0.350397  1
  H  H27  1  0.500000  0.179968  0.401679  1
  H  H28  1  0.500000  0.358632  0.416280  1
  H  H29  1  0.500000  0.670897  0.390639  1
  H  H30  1  0.500000  0.983163  0.364998  1
  H  H31  1  0.500000  0.648871  0.404233  1
  H  H32  1  0.500000  0.961136  0.378592  1
  H  H33  1  0.500000  0.273402  0.352951  1
  H  H34  1  0.500000  0.452065  0.367551  1
  H  H35  1  0.500000  0.827534  0.418833  1
  H  H36  1  0.500000  0.139799  0.393192  1
  H  H37  1  0.000000  0.336101  0.388859  1
  H  H38  1  0.000000  0.648367  0.363218  1
  H  H39  1  0.000000  0.023836  0.414500  1
  H  H40  1  0.000000  0.514764  0.403459  1
  H  H41  1  0.000000  0.827030  0.377818  1
  H  H42  1  0.000000  0.139295  0.352177  1
  H  H43  1  0.000000  0.492738  0.417053  1
  H  H44  1  0.000000  0.805003  0.391412  1
  H  H45  1  0.000000  0.117269  0.365771  1
  H  H46  1  0.000000  0.608198  0.354731  1
  H  H47  1  0.000000  0.983666  0.406013  1
  H  H48  1  0.000000  0.295932  0.380372  1
  H  H49  1  0.500000  0.555437  0.452961  1
  H  H50  1  0.500000  0.867703  0.427320  1
  H  H51  1  0.500000  0.243172  0.478602  1
  H  H52  1  0.500000  0.421835  0.493203  1
  H  H53  1  0.500000  0.734100  0.467562  1
  H  H54  1  0.500000  0.046366  0.441921  1
  H  H55  1  0.500000  0.712074  0.481156  1
  H  H56  1  0.500000  0.024339  0.455515  1
  H  H57  1  0.500000  0.336605  0.429874  1
  H  H58  1  0.500000  0.515268  0.444474  1
  H  H59  1  0.500000  0.890737  0.495757  1
  H  H60  1  0.500000  0.203003  0.470115  1
  H  H61  1  0.000000  0.399305  0.465782  1
  H  H62  1  0.000000  0.711570  0.440141  1
  H  H63  1  0.000000  0.087039  0.491423  1
  H  H64  1  0.000000  0.577968  0.480382  1
  H  H65  1  0.000000  0.890233  0.454741  1
  H  H66  1  0.000000  0.202499  0.429100  1
  H  H67  1  0.000000  0.555941  0.493976  1
  H  H68  1  0.000000  0.868207  0.468335  1
  H  H69  1  0.000000  0.180472  0.442694  1
  H  H70  1  0.000000  0.671401  0.431654  1
  H  H71  1  0.000000  0.046870  0.482936  1
  H  H72  1  0.000000  0.359135  0.457295  1
  H  H73  1  0.500000  0.618641  0.529884  1
  H  H74  1  0.500000  0.930906  0.504243  1
  H  H75  1  0.500000  0.306375  0.555526  1
  H  H76  1  0.500000  0.485038  0.570126  1
  H  H77  1  0.500000  0.797304  0.544485  1
  H  H78  1  0.500000  0.109569  0.518844  1
  H  H79  1  0.500000  0.775277  0.558079  1
  H  H80  1  0.500000  0.087543  0.532438  1
  H  H81  1  0.500000  0.399808  0.506797  1
  H  H82  1  0.500000  0.578471  0.521398  1
  H  H83  1  0.500000  0.953940  0.572680  1
  H  H84  1  0.500000  0.266206  0.547039  1
  H  H85  1  0.000000  0.462508  0.542705  1
  H  H86  1  0.000000  0.774773  0.517064  1
  H  H87  1  0.000000  0.150242  0.568346  1
  H  H88  1  0.000000  0.641171  0.557306  1
  H  H89  1  0.000000  0.953437  0.531665  1
  H  H90  1  0.000000  0.265702  0.506023  1
  H  H91  1  0.000000  0.619144  0.570900  1
  H  H92  1  0.000000  0.931410  0.545259  1
  H  H93  1  0.000000  0.243676  0.519618  1
  H  H94  1  0.000000  0.734604  0.508577  1
  H  H95  1  0.000000  0.110073  0.559859  1
  H  H96  1  0.000000  0.422339  0.534218  1
  H  H97  1  0.500000  0.681844  0.606808  1
  H  H98  1  0.500000  0.994110  0.581167  1
  H  H99  1  0.500000  0.369578  0.632449  1
  H  H100  1  0.500000  0.548242  0.647049  1
  H  H101  1  0.500000  0.860507  0.621408  1
  H  H102  1  0.500000  0.172773  0.595767  1
  H  H103  1  0.500000  0.838481  0.635002  1
  H  H104  1  0.500000  0.150746  0.609361  1
  H  H105  1  0.500000  0.463012  0.583720  1
  H  H106  1  0.500000  0.641675  0.598321  1
  H  H107  1  0.500000  0.017144  0.649603  1
  H  H108  1  0.500000  0.329409  0.623962  1
  H  H109  1  0.000000  0.525711  0.619628  1
  H  H110  1  0.000000  0.837977  0.593987  1
  H  H111  1  0.000000  0.213446  0.645269  1
  H  H112  1  0.000000  0.704374  0.634229  1
  H  H113  1  0.000000  0.016640  0.608588  1
  H  H114  1  0.000000  0.328905  0.582947  1
  H  H115  1  0.000000  0.682348  0.647823  1
  H  H116  1  0.000000  0.994613  0.622182  1
  H  H117  1  0.000000  0.306879  0.596541  1
  H  H118  1  0.000000  0.797808  0.585500  1
  H  H119  1  0.000000  0.173276  0.636782  1
  H  H120  1  0.000000  0.485542  0.611141  1
  H  H121  1  0.500000  0.745047  0.683731  1
  H  H122  1  0.500000  0.057313  0.658090  1
  H  H123  1  0.500000  0.432782  0.709372  1
  H  H124  1  0.500000  0.611445  0.723972  1
  H  H125  1  0.500000  0.923710  0.698331  1
  H  H126  1  0.500000  0.235976  0.672690  1
  H  H127  1  0.500000  0.901684  0.711925  1
  H  H128  1  0.500000  0.213949  0.686284  1
  H  H129  1  0.500000  0.526215  0.660643  1
  H  H130  1  0.500000  0.704878  0.675244  1
  H  H131  1  0.500000  0.080347  0.726526  1
  H  H132  1  0.500000  0.392613  0.700885  1
  H  H133  1  0.000000  0.588915  0.696551  1
  H  H134  1  0.000000  0.901180  0.670910  1
  H  H135  1  0.000000  0.276649  0.722192  1
  H  H136  1  0.000000  0.767578  0.711152  1
  H  H137  1  0.000000  0.079843  0.685511  1
  H  H138  1  0.000000  0.392109  0.659870  1
  H  H139  1  0.000000  0.745551  0.724746  1
  H  H140  1  0.000000  0.057817  0.699105  1
  H  H141  1  0.000000  0.370082  0.673464  1
  H  H142  1  0.000000  0.861011  0.662423  1
  H  H143  1  0.000000  0.236480  0.713705  1
  H  H144  1  0.000000  0.548745  0.688064  1
