# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.31501141
_cell_length_b   24.56200532
_cell_length_c   57.00202008
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.12555242
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H156
_cell_volume   3233.80251001
_cell_formula_units_Z   78
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  0.245889  0.148510  0.205464  1
  H  H2  1  1.158208  0.495509  0.190591  1
  H  H3  1  0.610710  0.831612  0.196559  1
  H  H4  1  1.069466  0.916598  0.190260  1
  H  H5  1  0.734552  0.235060  0.201300  1
  H  H6  1  0.593155  0.583723  0.185601  1
  H  H7  1  0.514099  0.002607  0.184264  1
  H  H8  1  0.218926  0.320921  0.197530  1
  H  H9  1  1.051876  0.669827  0.178288  1
  H  H10  1  0.768074  0.064491  0.211931  1
  H  H11  1  0.697052  0.407350  0.194036  1
  H  H12  1  1.129320  0.747956  0.203122  1
  H  H13  1  0.687260  0.188741  0.237465  1
  H  H14  1  0.642744  0.511545  0.224589  1
  H  H15  1  1.168138  0.816481  0.232576  1
  H  H16  1  0.659884  0.897667  0.226109  1
  H  H17  1  1.183531  0.271061  0.233720  1
  H  H18  1  1.113617  0.589532  0.220070  1
  H  H19  1  1.170068  -0.020466  0.219963  1
  H  H20  1  0.675206  0.352269  0.230490  1
  H  H21  1  0.597869  0.667537  0.213389  1
  H  H22  1  1.186191  0.106379  0.242854  1
  H  H23  1  1.162168  0.432393  0.227467  1
  H  H24  1  0.680079  0.736828  0.239960  1
  H  H25  1  0.225187  0.170753  0.272589  1
  H  H26  1  1.180811  0.496515  0.259193  1
  H  H27  1  0.626091  0.858187  0.263747  1
  H  H28  1  1.122977  0.940159  0.256953  1
  H  H29  1  0.719716  0.252694  0.268519  1
  H  H30  1  0.664438  0.577142  0.254911  1
  H  H31  1  0.638086  0.023320  0.249586  1
  H  H32  1  0.210773  0.334315  0.265324  1
  H  H33  1  1.163797  0.657118  0.248668  1
  H  H34  1  0.725584  0.088497  0.278203  1
  H  H35  1  0.697432  0.415570  0.262285  1
  H  H36  1  1.129381  0.777073  0.271140  1
  H  H37  1  0.674430  0.206173  0.304716  1
  H  H38  1  0.644038  0.532760  0.291279  1
  H  H39  1  1.194797  0.844065  0.299860  1
  H  H40  1  0.695927  0.925097  0.292715  1
  H  H41  1  1.170107  0.287437  0.301258  1
  H  H42  1  1.129981  0.614806  0.286215  1
  H  H43  1  0.207999  0.006629  0.285364  1
  H  H44  1  0.665099  0.369016  0.298140  1
  H  H45  1  0.626547  0.696446  0.279246  1
  H  H46  1  1.174736  0.125187  0.309640  1
  H  H47  1  1.156829  0.450732  0.294980  1
  H  H48  1  0.694970  0.763172  0.307437  1
  H  H49  1  0.207500  0.191497  0.339561  1
  H  H50  1  1.187848  0.516491  0.326007  1
  H  H51  1  0.652016  0.884930  0.330971  1
  H  H52  1  1.155808  0.964901  0.323868  1
  H  H53  1  0.706274  0.270962  0.336159  1
  H  H54  1  0.681739  0.599134  0.321287  1
  H  H55  1  0.663356  0.044888  0.316626  1
  H  H56  1  0.204998  0.351888  0.332924  1
  H  H57  1  1.187352  0.681533  0.314963  1
  H  H58  1  0.714059  0.113394  0.344940  1
  H  H59  1  0.698382  0.433959  0.329677  1
  H  H60  1  1.149458  0.804502  0.338261  1
  H  H61  1  0.690454  0.211639  0.372981  1
  H  H62  1  0.655174  0.556389  0.357672  1
  H  H63  1  1.195103  0.874494  0.366465  1
  H  H64  1  0.701610  0.955629  0.359382  1
  H  H65  1  1.181128  0.299868  0.368826  1
  H  H66  1  1.145299  0.640316  0.352396  1
  H  H67  1  0.209297  0.035146  0.352166  1
  H  H68  1  0.673505  0.386062  0.365226  1
  H  H69  1  0.644796  0.723044  0.345716  1
  H  H70  1  0.220663  0.122457  0.379073  1
  H  H71  1  1.166363  0.471565  0.361726  1
  H  H72  1  0.692165  0.791787  0.373789  1
  H  H73  1  0.261952  0.189368  0.407825  1
  H  H74  1  0.210194  0.535706  0.392356  1
  H  H75  1  0.729813  0.863050  0.401341  1
  H  H76  1  0.230541  0.948157  0.394091  1
  H  H77  1  0.750160  0.275501  0.403076  1
  H  H78  1  0.698402  0.621839  0.387607  1
  H  H79  1  0.729184  0.034278  0.386633  1
  H  H80  1  0.236918  0.362301  0.399459  1
  H  H81  1  1.190035  0.707379  0.381247  1
  H  H82  1  0.770319  0.103828  0.414185  1
  H  H83  1  0.723436  0.448906  0.395973  1
  H  H84  1  0.231170  0.776929  0.408799  1
  H  H85  1  0.815055  0.170891  0.443036  1
  H  H86  1  0.779226  0.511339  0.426606  1
  H  H87  1  0.258744  0.855577  0.436050  1
  H  H88  1  0.765251  0.936713  0.428967  1
  H  H89  1  0.305180  0.254818  0.437760  1
  H  H90  1  0.269900  0.599568  0.422451  1
  H  H91  1  0.268190  0.019420  0.421643  1
  H  H92  1  0.793991  0.339642  0.433706  1
  H  H93  1  0.739691  0.688750  0.416359  1
  H  H94  1  0.315558  0.088163  0.449716  1
  H  H95  1  0.286849  0.425145  0.430206  1
  H  H96  1  0.751057  0.776061  0.443266  1
  H  H97  1  0.278615  0.212073  0.474145  1
  H  H98  1  0.254080  0.540245  0.459273  1
  H  H99  1  0.804546  0.846306  0.471564  1
  H  H100  1  0.308338  0.926277  0.464461  1
  H  H101  1  0.772506  0.294716  0.469425  1
  H  H102  1  0.752854  0.619710  0.455871  1
  H  H103  1  0.810896  0.006705  0.457171  1
  H  H104  1  0.261972  0.377248  0.465755  1
  H  H105  1  0.246295  0.697813  0.450492  1
  H  H106  1  0.773002  0.129674  0.480469  1
  H  H107  1  0.755356  0.459319  0.462508  1
  H  H108  1  0.296998  0.766319  0.478806  1
  H  H109  1  0.830373  0.196401  0.509217  1
  H  H110  1  0.790247  0.523769  0.494174  1
  H  H111  1  0.264427  0.886110  0.502717  1
  H  H112  1  0.765557  0.967142  0.495572  1
  H  H113  1  0.316316  0.278447  0.504153  1
  H  H114  1  0.285924  0.605034  0.490716  1
  H  H115  1  0.265384  0.048035  0.487995  1
  H  H116  1  0.803525  0.360475  0.500452  1
  H  H117  1  0.785618  0.686020  0.485792  1
  H  H118  1  0.333807  0.114761  0.516186  1
  H  H119  1  0.295255  0.442191  0.497292  1
  H  H120  1  0.752355  0.804578  0.510068  1
  H  H121  1  0.295916  0.234065  0.540521  1
  H  H122  1  0.240638  0.558513  0.526913  1
  H  H123  1  0.837377  0.871048  0.538479  1
  H  H124  1  0.334263  0.953020  0.531685  1
  H  H125  1  0.779543  0.314692  0.536239  1
  H  H126  1  0.735168  0.640454  0.522843  1
  H  H127  1  0.830973  0.034134  0.524292  1
  H  H128  1  0.262922  0.395637  0.533147  1
  H  H129  1  0.234770  0.722710  0.517229  1
  H  H130  1  0.796557  0.154089  0.546764  1
  H  H131  1  0.749582  0.476892  0.530108  1
  H  H132  1  0.322268  0.787887  0.545846  1
  H  H133  1  0.846737  0.221675  0.575362  1
  H  H134  1  0.776823  0.540146  0.561712  1
  H  H135  1  0.300471  0.913540  0.569323  1
  H  H136  1  0.792216  -0.005274  0.562856  1
  H  H137  1  0.317610  0.299662  0.570843  1
  H  H138  1  0.273094  0.622466  0.557967  1
  H  H139  1  0.280275  0.074379  0.555473  1
  H  H140  1  0.798186  0.378814  0.567965  1
  H  H141  1  0.774163  0.704828  0.552578  1
  H  H142  1  0.362485  0.143670  0.582043  1
  H  H143  1  0.285148  0.458938  0.564942  1
  H  H144  1  0.790286  0.831673  0.575469  1
  H  H145  1  0.367199  0.227484  0.609831  1
  H  H146  1  0.225802  0.576147  0.594132  1
  H  H147  1  0.890888  0.894609  0.605172  1
  H  H148  1  0.349644  -0.020405  0.598873  1
  H  H149  1  0.802146  0.315698  0.604841  1
  H  H150  1  0.714465  0.662697  0.589968  1
  H  H151  1  0.831034  0.063251  0.592310  1
  H  H152  1  0.263302  0.403857  0.601396  1
  H  H153  1  1.192280  0.746716  0.583501  1
  H  H154  1  0.908478  0.141380  0.617144  1
  H  H155  1  0.741428  0.490286  0.597902  1
  H  H156  1  0.446256  0.808600  0.611168  1
