# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33868235
_cell_length_b   7.91049001
_cell_length_c   48.11058245
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.89551369
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H120
_cell_volume   2409.28500953
_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  0.760795  0.589959  0.266741  1
  H  H2  1  0.121681  0.570148  0.280584  1
  H  H3  1  0.461365  0.544435  0.296935  1
  H  H4  1  0.407418  0.079565  0.274000  1
  H  H5  1  0.779013  0.056971  0.288627  1
  H  H6  1  0.129870  1.033177  0.304132  1
  H  H7  1  0.637040  0.318956  0.280999  1
  H  H8  1  -0.002552  0.299755  0.294816  1
  H  H9  1  0.345759  0.273958  0.310809  1
  H  H10  1  0.562554  0.816352  0.282277  1
  H  H11  1  0.923086  0.792398  0.297189  1
  H  H12  1  0.274415  0.771913  0.312206  1
  H  H13  1  0.814162  0.519896  0.312464  1
  H  H14  1  0.163526  0.496535  0.326953  1
  H  H15  1  0.517610  0.468381  0.341834  1
  H  H16  1  0.489068  1.009793  0.319387  1
  H  H17  1  0.839964  0.982355  0.334097  1
  H  H18  1  0.193035  0.957427  0.348908  1
  H  H19  1  0.701814  0.247179  0.326168  1
  H  H20  1  0.051626  0.221191  0.340712  1
  H  H21  1  0.404396  0.194358  0.355670  1
  H  H22  1  0.629509  0.744190  0.327523  1
  H  H23  1  -0.017429  0.719438  0.342444  1
  H  H24  1  0.337070  0.692361  0.356874  1
  H  H25  1  0.870970  0.441972  0.357006  1
  H  H26  1  0.224136  0.415550  0.371460  1
  H  H27  1  0.577822  0.388544  0.386453  1
  H  H28  1  0.544791  0.930669  0.363810  1
  H  H29  1  0.896681  0.905442  0.378709  1
  H  H30  1  0.250192  0.878747  0.393437  1
  H  H31  1  0.756109  0.166848  0.370881  1
  H  H32  1  0.106830  0.140069  0.385905  1
  H  H33  1  0.454803  0.113767  0.401116  1
  H  H34  1  0.690862  0.664839  0.371689  1
  H  H35  1  0.045589  0.638799  0.386421  1
  H  H36  1  0.402171  0.612904  0.401258  1
  H  H37  1  0.931526  0.361217  0.401682  1
  H  H38  1  0.280950  0.339210  0.416404  1
  H  H39  1  0.623249  0.327676  0.432058  1
  H  H40  1  0.607542  0.849817  0.408023  1
  H  H41  1  0.967409  0.828952  0.422924  1
  H  H42  1  0.328744  0.824727  0.437834  1
  H  H43  1  0.792279  0.092514  0.417459  1
  H  H44  1  0.120508  0.086903  0.433479  1
  H  H45  1  0.445949  0.090174  0.448992  1
  H  H46  1  0.765328  0.588950  0.416329  1
  H  H47  1  0.133168  0.576123  0.431453  1
  H  H48  1  0.504524  0.582247  0.446934  1
  H  H49  1  0.962337  0.336181  0.448069  1
  H  H50  1  0.303612  0.348813  0.462866  1
  H  H51  1  0.645004  0.377565  0.478471  1
  H  H52  1  0.693604  0.844815  0.452999  1
  H  H53  1  0.064369  0.867700  0.468015  1
  H  H54  1  0.431616  0.885202  0.483535  1
  H  H55  1  0.768661  0.114198  0.465907  1
  H  H56  1  0.098070  0.138163  0.482136  1
  H  H57  1  0.438602  0.158158  0.496942  1
  H  H58  1  0.875513  0.606736  0.462122  1
  H  H59  1  0.244288  0.624927  0.476960  1
  H  H60  1  0.615894  0.651686  0.492382  1
  H  H61  1  -0.015463  0.404381  0.494415  1
  H  H62  1  0.325069  0.424376  0.509221  1
  H  H63  1  0.654478  0.448341  0.525451  1
  H  H64  1  0.807245  0.910853  0.498976  1
  H  H65  1  0.178851  0.937611  0.514398  1
  H  H66  1  0.547626  0.955803  0.529235  1
  H  H67  1  0.778135  0.184973  0.512887  1
  H  H68  1  0.119527  0.213726  0.528491  1
  H  H69  1  0.460802  0.226358  0.543288  1
  H  H70  1  -0.008477  0.677337  0.507823  1
  H  H71  1  0.358770  0.694838  0.523342  1
  H  H72  1  0.729535  0.717724  0.538359  1
  H  H73  1  0.977190  0.472365  0.542365  1
  H  H74  1  0.302631  0.475636  0.557879  1
  H  H75  1  0.630860  0.470024  0.573898  1
  H  H76  1  0.918615  0.980292  0.544424  1
  H  H77  1  0.289971  0.986415  0.559905  1
  H  H78  1  0.657811  0.973588  0.575029  1
  H  H79  1  0.799890  0.234863  0.559300  1
  H  H80  1  0.142189  0.223329  0.574954  1
  H  H81  1  0.491613  0.201322  0.589675  1
  H  H82  1  0.094395  0.737811  0.553524  1
  H  H83  1  0.455731  0.733587  0.568433  1
  H  H84  1  0.815597  0.712721  0.583335  1
  H  H85  1  0.968336  0.448772  0.590241  1
  H  H86  1  0.316309  0.422469  0.605453  1
  H  H87  1  0.667030  0.395691  0.620476  1
  H  H88  1  0.020968  0.949634  0.590099  1
  H  H89  1  0.377550  0.923739  0.604937  1
  H  H90  1  0.732277  0.897700  0.619669  1
  H  H91  1  0.845317  0.173995  0.604904  1
  H  H92  1  0.199003  0.146988  0.619898  1
  H  H93  1  0.552169  0.120567  0.634351  1
  H  H94  1  0.172947  0.683792  0.597920  1
  H  H95  1  0.526458  0.657096  0.612648  1
  H  H96  1  0.878348  0.631870  0.627547  1
  H  H97  1  0.018744  0.368180  0.635688  1
  H  H98  1  0.371513  0.341348  0.650646  1
  H  H99  1  0.721325  0.315360  0.665190  1
  H  H100  1  0.086069  0.870177  0.634483  1
  H  H101  1  0.440568  0.843101  0.648913  1
  H  H102  1  0.793630  0.818348  0.663835  1
  H  H103  1  0.905529  0.094157  0.649523  1
  H  H104  1  0.259613  0.066004  0.664405  1
  H  H105  1  0.608977  0.042643  0.678894  1
  H  H106  1  0.230104  0.605111  0.642450  1
  H  H107  1  0.583175  0.580183  0.657260  1
  H  H108  1  0.934071  0.552746  0.671971  1
  H  H109  1  0.077380  0.288581  0.680549  1
  H  H110  1  0.425691  0.262784  0.696542  1
  H  H111  1  0.786099  0.243583  0.710358  1
  H  H112  1  0.148724  0.790625  0.679151  1
  H  H113  1  0.500053  0.770141  0.694168  1
  H  H114  1  0.860585  0.746187  0.709081  1
  H  H115  1  0.961774  1.018104  0.694422  1
  H  H116  1  0.301458  0.992391  0.710773  1
  H  H117  1  0.662344  0.972579  0.724616  1
  H  H118  1  0.293269  0.529361  0.687225  1
  H  H119  1  0.644126  0.505567  0.702730  1
  H  H120  1  0.015722  0.482974  0.717358  1
