# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17873818
_cell_length_b   10.17675056
_cell_length_c   35.38500744
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.26515356
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H108
_cell_volume   2224.96694361
_cell_formula_units_Z   54
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  1.108128  0.674824  0.458260  1
  H  H2  1  0.747755  0.754882  0.450523  1
  H  H3  1  0.379512  -0.175877  0.442679  1
  H  H4  1  0.379512  0.324123  0.442679  1
  H  H5  1  1.108128  0.174824  0.458260  1
  H  H6  1  0.747755  0.254882  0.450523  1
  H  H7  1  0.208550  0.462542  0.482925  1
  H  H8  1  0.843309  0.525230  0.471890  1
  H  H9  1  0.477568  0.598935  0.464602  1
  H  H10  1  0.477568  0.098935  0.464602  1
  H  H11  1  0.208550  -0.037458  0.482925  1
  H  H12  1  0.843309  0.025230  0.471890  1
  H  H13  1  0.327709  0.249308  0.507202  1
  H  H14  1  0.957378  0.321327  0.500325  1
  H  H15  1  0.583861  0.393253  0.493094  1
  H  H16  1  0.583861  -0.106747  0.493094  1
  H  H17  1  0.327709  0.749308  0.507202  1
  H  H18  1  0.957378  -0.178673  0.500325  1
  H  H19  1  0.433804  0.042633  0.531358  1
  H  H20  1  1.063407  0.111243  0.522991  1
  H  H21  1  0.696729  0.178371  0.514210  1
  H  H22  1  0.696729  0.678371  0.514210  1
  H  H23  1  0.433804  0.542633  0.531358  1
  H  H24  1  1.063407  0.611243  0.522991  1
  H  H25  1  0.549973  -0.170605  0.555681  1
  H  H26  1  0.179850  -0.099718  0.547585  1
  H  H27  1  0.808018  -0.028471  0.539505  1
  H  H28  1  0.808018  0.471529  0.539505  1
  H  H29  1  0.549973  0.329395  0.555681  1
  H  H30  1  0.179850  0.400282  0.547585  1
  H  H31  1  0.659414  0.620586  0.579458  1
  H  H32  1  0.288210  0.691013  0.571590  1
  H  H33  1  0.918487  0.760485  0.563566  1
  H  H34  1  0.918487  0.260485  0.563566  1
  H  H35  1  0.659414  0.120586  0.579458  1
  H  H36  1  0.288210  0.191013  0.571590  1
  H  H37  1  0.771508  0.410507  0.603922  1
  H  H38  1  0.401337  0.480328  0.595737  1
  H  H39  1  1.030554  0.550457  0.587671  1
  H  H40  1  1.030554  0.050457  0.587671  1
  H  H41  1  0.771508  -0.089493  0.603922  1
  H  H42  1  0.401337  -0.019672  0.595737  1
  H  H43  1  0.882639  0.200188  0.628031  1
  H  H44  1  0.512306  0.270175  0.620059  1
  H  H45  1  0.141599  0.340486  0.612046  1
  H  H46  1  0.141599  -0.159514  0.612046  1
  H  H47  1  0.882639  0.700188  0.628031  1
  H  H48  1  0.512306  0.770175  0.620059  1
  H  H49  1  0.994245  -0.009765  0.652316  1
  H  H50  1  0.623709  0.060231  0.644184  1
  H  H51  1  0.253310  0.130187  0.636101  1
  H  H52  1  0.253310  0.630187  0.636101  1
  H  H53  1  0.994245  0.490235  0.652316  1
  H  H54  1  0.623709  0.560231  0.644184  1
  H  H55  1  1.105881  0.780062  0.676552  1
  H  H56  1  0.735482  -0.149981  0.668468  1
  H  H57  1  0.364946  -0.079985  0.660336  1
  H  H58  1  0.364946  0.420015  0.660336  1
  H  H59  1  1.105881  0.280062  0.676552  1
  H  H60  1  0.735482  0.350019  0.668468  1
  H  H61  1  0.217592  0.569764  0.700607  1
  H  H62  1  0.846886  0.640074  0.692593  1
  H  H63  1  0.476552  0.710062  0.684621  1
  H  H64  1  0.476552  0.210062  0.684621  1
  H  H65  1  0.217592  0.069764  0.700607  1
  H  H66  1  0.846886  0.140074  0.692593  1
  H  H67  1  0.328637  0.359793  0.724982  1
  H  H68  1  0.957854  0.429922  0.716915  1
  H  H69  1  0.587683  0.499743  0.708730  1
  H  H70  1  0.587683  -0.000257  0.708730  1
  H  H71  1  0.328637  -0.140207  0.724982  1
  H  H72  1  0.957854  -0.070078  0.716915  1
  H  H73  1  0.440704  0.149765  0.749086  1
  H  H74  1  1.070981  0.219237  0.741063  1
  H  H75  1  0.699777  0.289664  0.733194  1
  H  H76  1  0.699777  0.789664  0.733194  1
  H  H77  1  0.440704  0.649765  0.749086  1
  H  H78  1  1.070981  0.719237  0.741063  1
  H  H79  1  0.551174  -0.061279  0.773147  1
  H  H80  1  0.179342  0.009968  0.765068  1
  H  H81  1  0.809218  0.080855  0.756971  1
  H  H82  1  0.809218  0.580855  0.756971  1
  H  H83  1  0.551174  0.438721  0.773147  1
  H  H84  1  0.179342  0.509968  0.765068  1
  H  H85  1  0.662462  0.731879  0.798442  1
  H  H86  1  0.295784  -0.200993  0.789661  1
  H  H87  1  0.925387  -0.132383  0.781294  1
  H  H88  1  0.925387  0.367617  0.781294  1
  H  H89  1  0.662462  0.231879  0.798442  1
  H  H90  1  0.295784  0.299007  0.789661  1
  H  H91  1  0.775330  0.516997  0.819559  1
  H  H92  1  0.401813  0.588923  0.812328  1
  H  H93  1  1.031482  0.660942  0.805451  1
  H  H94  1  1.031482  0.160942  0.805451  1
  H  H95  1  0.775330  0.016997  0.819559  1
  H  H96  1  0.401813  0.088923  0.812328  1
  H  H97  1  0.881623  0.311315  0.848050  1
  H  H98  1  0.515883  0.385020  0.840762  1
  H  H99  1  0.150641  0.447708  0.829728  1
  H  H100  1  0.150641  -0.052292  0.829728  1
  H  H101  1  0.881623  -0.188685  0.848050  1
  H  H102  1  0.515883  -0.114980  0.840762  1
  H  H103  1  0.979679  0.086127  0.869973  1
  H  H104  1  0.611436  0.155368  0.862129  1
  H  H105  1  0.251063  0.235426  0.854392  1
  H  H106  1  0.251063  0.735426  0.854392  1
  H  H107  1  0.979679  0.586127  0.869973  1
  H  H108  1  0.611436  0.655368  0.862129  1
