# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84157320
_cell_length_b   12.55730936
_cell_length_c   49.94815634
_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   H120
_cell_volume   3036.70467881
_cell_formula_units_Z   60
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  0.909194  0.361284  1
  H  H2  1  0.500000  0.627422  0.330981  1
  H  H3  1  0.500000  0.345649  0.300678  1
  H  H4  1  0.500000  0.086980  0.326632  1
  H  H5  1  0.500000  0.805207  0.296329  1
  H  H6  1  0.500000  0.368753  0.356935  1
  H  H7  1  0.500000  0.830245  0.309732  1
  H  H8  1  0.500000  0.548472  0.279429  1
  H  H9  1  0.500000  0.112017  0.340035  1
  H  H10  1  0.500000  0.008030  0.275079  1
  H  H11  1  0.500000  0.571575  0.335685  1
  H  H12  1  0.500000  0.289803  0.305382  1
  H  H13  1  0.000000  0.986535  0.315830  1
  H  H14  1  0.000000  0.704763  0.285527  1
  H  H15  1  0.000000  0.268308  0.346133  1
  H  H16  1  0.000000  0.164321  0.281177  1
  H  H17  1  0.000000  0.727866  0.341783  1
  H  H18  1  0.000000  0.446094  0.311480  1
  H  H19  1  0.000000  0.752904  0.355186  1
  H  H20  1  0.000000  0.471131  0.324883  1
  H  H21  1  0.000000  0.189358  0.294580  1
  H  H22  1  0.000000  0.930689  0.320534  1
  H  H23  1  0.000000  0.648917  0.290231  1
  H  H24  1  0.000000  0.212462  0.350837  1
  H  H25  1  0.500000  0.754512  0.452193  1
  H  H26  1  0.500000  0.472739  0.421890  1
  H  H27  1  0.500000  0.190967  0.391587  1
  H  H28  1  0.500000  0.932298  0.417541  1
  H  H29  1  0.500000  0.650525  0.387238  1
  H  H30  1  0.500000  0.214070  0.447844  1
  H  H31  1  0.500000  0.675562  0.400641  1
  H  H32  1  0.500000  0.393790  0.370338  1
  H  H33  1  0.500000  0.957335  0.430944  1
  H  H34  1  0.500000  0.853348  0.365988  1
  H  H35  1  0.500000  0.416893  0.426595  1
  H  H36  1  0.500000  0.135121  0.396291  1
  H  H37  1  0.000000  0.831853  0.406739  1
  H  H38  1  0.000000  0.550081  0.376436  1
  H  H39  1  0.000000  0.113626  0.437042  1
  H  H40  1  0.000000  0.009639  0.372087  1
  H  H41  1  0.000000  0.573184  0.432693  1
  H  H42  1  0.000000  0.291411  0.402390  1
  H  H43  1  0.000000  0.598221  0.446095  1
  H  H44  1  0.000000  0.316449  0.415792  1
  H  H45  1  0.000000  0.034676  0.385489  1
  H  H46  1  0.000000  0.776007  0.411443  1
  H  H47  1  0.000000  0.494234  0.381140  1
  H  H48  1  0.000000  0.057780  0.441746  1
  H  H49  1  0.500000  0.599830  0.543102  1
  H  H50  1  0.500000  0.318057  0.512799  1
  H  H51  1  0.500000  0.036285  0.482496  1
  H  H52  1  0.500000  0.777616  0.508450  1
  H  H53  1  0.500000  0.495843  0.478147  1
  H  H54  1  0.500000  0.059388  0.538753  1
  H  H55  1  0.500000  0.520880  0.491550  1
  H  H56  1  0.500000  0.239108  0.461247  1
  H  H57  1  0.500000  0.802653  0.521853  1
  H  H58  1  0.500000  0.698666  0.456898  1
  H  H59  1  0.500000  0.262211  0.517504  1
  H  H60  1  0.500000  0.980438  0.487201  1
  H  H61  1  0.000000  0.677171  0.497648  1
  H  H62  1  0.000000  0.395398  0.467345  1
  H  H63  1  0.000000  0.958944  0.527951  1
  H  H64  1  0.000000  0.854957  0.462996  1
  H  H65  1  0.000000  0.418502  0.523602  1
  H  H66  1  0.000000  0.136729  0.493299  1
  H  H67  1  0.000000  0.443539  0.537004  1
  H  H68  1  0.000000  0.161767  0.506701  1
  H  H69  1  0.000000  0.879994  0.476398  1
  H  H70  1  0.000000  0.621325  0.502352  1
  H  H71  1  0.000000  0.339552  0.472049  1
  H  H72  1  0.000000  0.903097  0.532655  1
  H  H73  1  0.500000  0.445148  0.634012  1
  H  H74  1  0.500000  0.163375  0.603709  1
  H  H75  1  0.500000  0.881602  0.573405  1
  H  H76  1  0.500000  0.622933  0.599359  1
  H  H77  1  0.500000  0.341161  0.569056  1
  H  H78  1  0.500000  0.904706  0.629662  1
  H  H79  1  0.500000  0.366198  0.582459  1
  H  H80  1  0.500000  0.084425  0.552156  1
  H  H81  1  0.500000  0.647971  0.612762  1
  H  H82  1  0.500000  0.543984  0.547807  1
  H  H83  1  0.500000  0.107529  0.608413  1
  H  H84  1  0.500000  0.825756  0.578110  1
  H  H85  1  0.000000  0.522489  0.588557  1
  H  H86  1  0.000000  0.240716  0.558254  1
  H  H87  1  0.000000  0.804261  0.618860  1
  H  H88  1  0.000000  0.700274  0.553905  1
  H  H89  1  0.000000  0.263820  0.614511  1
  H  H90  1  0.000000  0.982047  0.584208  1
  H  H91  1  0.000000  0.288857  0.627913  1
  H  H92  1  0.000000  0.007084  0.597610  1
  H  H93  1  0.000000  0.725312  0.567307  1
  H  H94  1  0.000000  0.466643  0.593261  1
  H  H95  1  0.000000  0.184870  0.562958  1
  H  H96  1  0.000000  0.748415  0.623564  1
  H  H97  1  0.500000  0.290465  0.724921  1
  H  H98  1  0.500000  0.008693  0.694618  1
  H  H99  1  0.500000  0.726920  0.664315  1
  H  H100  1  0.500000  0.468251  0.690268  1
  H  H101  1  0.500000  0.186479  0.659965  1
  H  H102  1  0.500000  0.750024  0.720571  1
  H  H103  1  0.500000  0.211516  0.673368  1
  H  H104  1  0.500000  0.929743  0.643065  1
  H  H105  1  0.500000  0.493288  0.703671  1
  H  H106  1  0.500000  0.389301  0.638716  1
  H  H107  1  0.500000  0.952847  0.699322  1
  H  H108  1  0.500000  0.671074  0.669019  1
  H  H109  1  0.000000  0.367807  0.679466  1
  H  H110  1  0.000000  0.086034  0.649163  1
  H  H111  1  0.000000  0.649579  0.709769  1
  H  H112  1  0.000000  0.545592  0.644814  1
  H  H113  1  0.000000  0.109137  0.705420  1
  H  H114  1  0.000000  0.827365  0.675117  1
  H  H115  1  0.000000  0.134175  0.718823  1
  H  H116  1  0.000000  0.852402  0.688520  1
  H  H117  1  0.000000  0.570630  0.658217  1
  H  H118  1  0.000000  0.311960  0.684170  1
  H  H119  1  0.000000  0.030188  0.653867  1
  H  H120  1  0.000000  0.593733  0.714473  1
