# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.80770630
_cell_length_b   6.09263842
_cell_length_c   46.79623788
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   121.92784756
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H126
_cell_volume   2131.28200917
_cell_formula_units_Z   63
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  0.200377  0.248436  0.295599  1
  H  H2  1  0.873430  0.212493  0.281414  1
  H  H3  1  0.536904  0.230464  0.288506  1
  H  H4  1  0.536904  0.730464  0.288506  1
  H  H5  1  0.200377  0.748436  0.295599  1
  H  H6  1  0.873430  0.712493  0.281414  1
  H  H7  1  0.191758  0.296945  0.314742  1
  H  H8  1  0.864811  0.261001  0.300557  1
  H  H9  1  0.528285  0.278973  0.307650  1
  H  H10  1  0.528285  0.778973  0.307650  1
  H  H11  1  0.191758  0.796945  0.314742  1
  H  H12  1  0.864811  0.761001  0.300557  1
  H  H13  1  0.181560  0.354340  0.337391  1
  H  H14  1  0.854613  0.318396  0.323207  1
  H  H15  1  0.518087  0.336368  0.330299  1
  H  H16  1  0.518087  0.836368  0.330299  1
  H  H17  1  0.181560  0.854340  0.337391  1
  H  H18  1  0.854613  0.818396  0.323207  1
  H  H19  1  0.172209  0.406970  0.358161  1
  H  H20  1  0.845262  0.371026  0.343976  1
  H  H21  1  0.508735  0.388998  0.351069  1
  H  H22  1  0.508735  0.888998  0.351069  1
  H  H23  1  0.172209  0.906970  0.358161  1
  H  H24  1  0.845262  0.871026  0.343976  1
  H  H25  1  0.162509  0.461563  0.379705  1
  H  H26  1  0.835562  0.425619  0.365520  1
  H  H27  1  0.499035  0.443591  0.372613  1
  H  H28  1  0.499035  0.943591  0.372613  1
  H  H29  1  0.162509  0.961563  0.379705  1
  H  H30  1  0.835562  0.925619  0.365520  1
  H  H31  1  0.152977  0.515210  0.400876  1
  H  H32  1  0.826030  0.479267  0.386691  1
  H  H33  1  0.489503  0.497238  0.393783  1
  H  H34  1  0.489503  0.997238  0.393783  1
  H  H35  1  0.152977  0.015210  0.400876  1
  H  H36  1  0.826030  0.979267  0.386691  1
  H  H37  1  0.143368  0.569287  0.422216  1
  H  H38  1  0.816421  0.533343  0.408032  1
  H  H39  1  0.479895  0.551315  0.415124  1
  H  H40  1  0.479895  0.051315  0.415124  1
  H  H41  1  0.143368  0.069287  0.422216  1
  H  H42  1  0.816421  0.033343  0.408032  1
  H  H43  1  0.133796  0.623163  0.443477  1
  H  H44  1  0.806849  0.587219  0.429293  1
  H  H45  1  0.470322  0.605191  0.436385  1
  H  H46  1  0.470322  0.105191  0.436385  1
  H  H47  1  0.133796  0.123163  0.443477  1
  H  H48  1  0.806849  0.087219  0.429293  1
  H  H49  1  0.124207  0.677131  0.464775  1
  H  H50  1  0.797260  0.641188  0.450590  1
  H  H51  1  0.460733  0.659159  0.457682  1
  H  H52  1  0.460733  0.159159  0.457682  1
  H  H53  1  0.124207  0.177131  0.464775  1
  H  H54  1  0.797260  0.141188  0.450590  1
  H  H55  1  0.114625  0.731058  0.486056  1
  H  H56  1  0.787678  0.695114  0.471871  1
  H  H57  1  0.451151  0.713086  0.478963  1
  H  H58  1  0.451151  0.213086  0.478963  1
  H  H59  1  0.114625  0.231058  0.486056  1
  H  H60  1  0.787678  0.195114  0.471871  1
  H  H61  1  0.105040  0.785001  0.507343  1
  H  H62  1  0.778093  0.749057  0.493159  1
  H  H63  1  0.441567  0.767029  0.500251  1
  H  H64  1  0.441567  0.267029  0.500251  1
  H  H65  1  0.105040  0.285001  0.507343  1
  H  H66  1  0.778093  0.249057  0.493159  1
  H  H67  1  0.095456  0.838943  0.528630  1
  H  H68  1  0.768509  0.803000  0.514446  1
  H  H69  1  0.431982  0.820971  0.521538  1
  H  H70  1  0.431982  0.320971  0.521538  1
  H  H71  1  0.095456  0.338943  0.528630  1
  H  H72  1  0.768509  0.303000  0.514446  1
  H  H73  1  0.085874  0.892870  0.549912  1
  H  H74  1  0.758927  0.856926  0.535727  1
  H  H75  1  0.422401  0.874898  0.542819  1
  H  H76  1  0.422401  0.374898  0.542819  1
  H  H77  1  0.085874  0.392870  0.549912  1
  H  H78  1  0.758927  0.356926  0.535727  1
  H  H79  1  0.076285  0.946838  0.571209  1
  H  H80  1  0.749338  0.910895  0.557025  1
  H  H81  1  0.412812  0.928866  0.564117  1
  H  H82  1  0.412812  0.428866  0.564117  1
  H  H83  1  0.076285  0.446838  0.571209  1
  H  H84  1  0.749338  0.410895  0.557025  1
  H  H85  1  0.066712  0.000714  0.592470  1
  H  H86  1  0.739765  0.964771  0.578286  1
  H  H87  1  0.403239  0.982742  0.585378  1
  H  H88  1  0.403239  0.482742  0.585378  1
  H  H89  1  0.066712  0.500714  0.592470  1
  H  H90  1  0.739765  0.464771  0.578286  1
  H  H91  1  0.057104  0.054791  0.613810  1
  H  H92  1  0.730157  0.018847  0.599626  1
  H  H93  1  0.393630  0.036819  0.606718  1
  H  H94  1  0.393630  0.536819  0.606718  1
  H  H95  1  0.057104  0.554791  0.613810  1
  H  H96  1  0.730157  0.518847  0.599626  1
  H  H97  1  0.047572  0.108438  0.634981  1
  H  H98  1  0.720625  0.072495  0.620797  1
  H  H99  1  0.384098  0.090467  0.627889  1
  H  H100  1  0.384098  0.590467  0.627889  1
  H  H101  1  0.047572  0.608438  0.634981  1
  H  H102  1  0.720625  0.572495  0.620797  1
  H  H103  1  0.037872  0.163031  0.656525  1
  H  H104  1  0.710925  0.127088  0.642341  1
  H  H105  1  0.374398  0.145059  0.649433  1
  H  H106  1  0.374398  0.645059  0.649433  1
  H  H107  1  0.037872  0.663031  0.656525  1
  H  H108  1  0.710925  0.627088  0.642341  1
  H  H109  1  0.028520  0.215661  0.677295  1
  H  H110  1  0.701574  0.179718  0.663110  1
  H  H111  1  0.365047  0.197689  0.670202  1
  H  H112  1  0.365047  0.697689  0.670202  1
  H  H113  1  0.028520  0.715661  0.677295  1
  H  H114  1  0.701574  0.679718  0.663110  1
  H  H115  1  0.018323  0.273056  0.699944  1
  H  H116  1  0.691376  0.237113  0.685760  1
  H  H117  1  0.354849  0.255084  0.692852  1
  H  H118  1  0.354849  0.755084  0.692852  1
  H  H119  1  0.018323  0.773056  0.699944  1
  H  H120  1  0.691376  0.737113  0.685760  1
  H  H121  1  0.009703  0.321565  0.719087  1
  H  H122  1  0.682757  0.285621  0.704903  1
  H  H123  1  0.346230  0.303593  0.711995  1
  H  H124  1  0.346230  0.803593  0.711995  1
  H  H125  1  0.009703  0.821565  0.719087  1
  H  H126  1  0.682757  0.785621  0.704903  1
