# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28817914
_cell_length_b   9.89899345
_cell_length_c   51.84127680
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.93031165
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H180
_cell_volume   3734.75541865
_cell_formula_units_Z   90
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  0.242097  0.612634  0.255354  1
  H  H2  1  0.571476  0.281455  0.255828  1
  H  H3  1  0.543696  0.596790  0.270239  1
  H  H4  1  0.900557  0.945171  0.255020  1
  H  H5  1  0.877199  0.264279  0.270410  1
  H  H6  1  0.933934  0.642068  0.241730  1
  H  H7  1  0.205675  0.930846  0.270646  1
  H  H8  1  0.264826  0.310862  0.241613  1
  H  H9  1  0.518886  0.913679  0.285302  1
  H  H10  1  1.053592  0.440564  0.263665  1
  H  H11  1  0.392558  0.101189  0.262140  1
  H  H12  1  0.367013  0.422140  0.278132  1
  H  H13  1  0.719260  0.773573  0.263621  1
  H  H14  1  0.699320  0.086883  0.277064  1
  H  H15  1  0.747835  0.460319  0.248301  1
  H  H16  1  1.033746  0.754165  0.278041  1
  H  H17  1  1.080385  0.127199  0.248471  1
  H  H18  1  0.415866  0.801161  0.248406  1
  H  H19  1  0.160968  0.561081  0.299274  1
  H  H20  1  0.494408  0.227124  0.299066  1
  H  H21  1  0.469587  0.543347  0.313654  1
  H  H22  1  0.828373  0.894294  0.299381  1
  H  H23  1  0.802229  0.209847  0.313468  1
  H  H24  1  0.851969  0.580089  0.285282  1
  H  H25  1  0.135971  0.876562  0.313806  1
  H  H26  1  0.187910  0.245244  0.284915  1
  H  H27  1  0.444073  0.858734  0.328053  1
  H  H28  1  0.982235  0.385056  0.306505  1
  H  H29  1  0.314126  0.052418  0.306307  1
  H  H30  1  0.290336  0.367430  0.320799  1
  H  H31  1  0.648015  0.718742  0.306610  1
  H  H32  1  0.623509  0.034559  0.320742  1
  H  H33  1  0.674608  0.403842  0.292275  1
  H  H34  1  0.956874  0.700831  0.320893  1
  H  H35  1  1.005711  0.070586  0.292207  1
  H  H36  1  0.340797  0.736759  0.292155  1
  H  H37  1  1.085906  0.507091  0.342372  1
  H  H38  1  0.418953  0.173791  0.342287  1
  H  H39  1  0.394085  0.489079  0.356766  1
  H  H40  1  0.752331  0.840578  0.342396  1
  H  H41  1  0.727277  0.155867  0.356722  1
  H  H42  1  0.777815  0.525086  0.328063  1
  H  H43  1  1.060700  0.822485  0.356813  1
  H  H44  1  0.110836  0.191888  0.327936  1
  H  H45  1  0.368998  0.804435  0.371163  1
  H  H46  1  0.906525  0.331350  0.349543  1
  H  H47  1  0.239910  0.998307  0.349554  1
  H  H48  1  0.214869  0.313403  0.363941  1
  H  H49  1  0.573245  0.664755  0.349610  1
  H  H50  1  0.548165  0.980211  0.363951  1
  H  H51  1  0.598190  0.349376  0.335132  1
  H  H52  1  0.881583  0.646751  0.363984  1
  H  H53  1  0.931505  1.016373  0.335197  1
  H  H54  1  0.264960  0.682766  0.335188  1
  H  H55  1  1.010664  0.453010  0.385541  1
  H  H56  1  0.343980  0.119743  0.385531  1
  H  H57  1  0.318977  0.434977  0.399939  1
  H  H58  1  0.677326  0.786388  0.385558  1
  H  H59  1  0.652290  0.101694  0.399932  1
  H  H60  1  0.702357  0.471013  0.371158  1
  H  H61  1  0.985650  0.768331  0.399957  1
  H  H62  1  1.035672  0.137776  0.371142  1
  H  H63  1  0.293959  0.750289  0.414338  1
  H  H64  1  0.831471  0.277339  0.392734  1
  H  H65  1  0.164828  0.944059  0.392745  1
  H  H66  1  0.139791  0.259310  0.407131  1
  H  H67  1  0.498163  0.610664  0.392755  1
  H  H68  1  0.473123  0.925996  0.407136  1
  H  H69  1  0.523130  0.295371  0.378327  1
  H  H70  1  0.806472  0.592625  0.407142  1
  H  H71  1  0.856456  0.962118  0.378356  1
  H  H72  1  0.189866  0.628698  0.378360  1
  H  H73  1  0.935599  0.398906  0.428723  1
  H  H74  1  0.268935  0.065588  0.428723  1
  H  H75  1  0.243917  0.380865  0.443118  1
  H  H76  1  0.602273  0.732243  0.428731  1
  H  H77  1  0.577245  0.047539  0.443117  1
  H  H78  1  0.627284  0.416936  0.414331  1
  H  H79  1  0.910586  0.714195  0.443125  1
  H  H80  1  0.960619  0.083632  0.414331  1
  H  H81  1  0.218901  0.696154  0.457515  1
  H  H82  1  0.756422  0.223223  0.435919  1
  H  H83  1  0.089764  0.889895  0.435925  1
  H  H84  1  1.064739  0.205182  0.450313  1
  H  H85  1  0.423096  0.556549  0.435926  1
  H  H86  1  0.398074  0.871845  0.450317  1
  H  H87  1  0.448105  0.241268  0.421523  1
  H  H88  1  0.731408  0.538509  0.450318  1
  H  H89  1  0.781440  0.907944  0.421533  1
  H  H90  1  0.114783  0.574585  0.421533  1
  H  H91  1  0.860542  0.344788  0.471901  1
  H  H92  1  0.193879  1.011443  0.471903  1
  H  H93  1  0.168861  0.326745  0.486296  1
  H  H94  1  0.527217  0.678109  0.471910  1
  H  H95  1  0.502191  0.993392  0.486296  1
  H  H96  1  0.552230  0.362825  0.457511  1
  H  H97  1  0.835533  0.660063  0.486306  1
  H  H98  1  0.885563  0.029490  0.457511  1
  H  H99  1  0.143847  0.642030  0.500698  1
  H  H100  1  0.681363  0.169091  0.479097  1
  H  H101  1  1.014702  0.835747  0.479105  1
  H  H102  1  0.989681  0.151051  0.493488  1
  H  H103  1  0.348039  0.502431  0.479104  1
  H  H104  1  0.323025  0.817698  0.493498  1
  H  H105  1  0.373054  0.187138  0.464706  1
  H  H106  1  0.656352  0.484396  0.493500  1
  H  H107  1  0.706390  0.853797  0.464711  1
  H  H108  1  1.039724  0.520469  0.464710  1
  H  H109  1  0.785472  0.290680  0.515070  1
  H  H110  1  0.118823  0.957285  0.515077  1
  H  H111  1  0.093804  0.272635  0.529469  1
  H  H112  1  0.452168  0.623976  0.515097  1
  H  H113  1  0.427150  0.939220  0.529477  1
  H  H114  1  0.477176  0.308712  0.500689  1
  H  H115  1  0.760484  0.605937  0.529502  1
  H  H116  1  0.810505  0.975340  0.500690  1
  H  H117  1  1.068762  0.587925  0.543882  1
  H  H118  1  0.606292  0.114941  0.522269  1
  H  H119  1  0.939650  0.781593  0.522295  1
  H  H120  1  0.914625  0.096902  0.536652  1
  H  H121  1  0.272983  0.448336  0.522284  1
  H  H122  1  0.248028  0.763552  0.536690  1
  H  H123  1  0.297994  0.133000  0.507881  1
  H  H124  1  0.581290  0.430326  0.536688  1
  H  H125  1  0.631345  0.799644  0.507894  1
  H  H126  1  0.964663  0.466356  0.507888  1
  H  H127  1  0.710350  0.236588  0.558204  1
  H  H128  1  1.043823  0.903101  0.558252  1
  H  H129  1  1.018672  0.218496  0.572606  1
  H  H130  1  0.377122  0.569866  0.558305  1
  H  H131  1  0.352267  0.885078  0.572691  1
  H  H132  1  0.402099  0.254616  0.543851  1
  H  H133  1  0.685370  0.551945  0.572737  1
  H  H134  1  0.735449  0.921154  0.543873  1
  H  H135  1  0.993352  0.533925  0.587056  1
  H  H136  1  0.531185  0.060709  0.565427  1
  H  H137  1  0.864579  0.727430  0.565515  1
  H  H138  1  0.839467  0.042651  0.579783  1
  H  H139  1  0.197908  0.394367  0.565452  1
  H  H140  1  0.172923  0.709366  0.579857  1
  H  H141  1  0.222924  0.078787  0.551043  1
  H  H142  1  0.506150  0.376368  0.579861  1
  H  H143  1  0.556323  0.745468  0.551096  1
  H  H144  1  0.889568  0.412290  0.551060  1
  H  H145  1  0.635121  0.182361  0.601161  1
  H  H146  1  0.969103  0.849149  0.601362  1
  H  H147  1  0.942752  0.164421  0.615548  1
  H  H148  1  0.302148  0.515735  0.601522  1
  H  H149  1  0.275815  0.831660  0.615785  1
  H  H150  1  0.326746  0.200432  0.586895  1
  H  H151  1  0.610219  0.498182  0.615934  1
  H  H152  1  0.660481  0.866844  0.587059  1
  H  H153  1  0.916337  0.480622  0.630027  1
  H  H154  1  0.457014  1.006647  0.608568  1
  H  H155  1  0.789417  0.673691  0.608766  1
  H  H156  1  0.765620  0.988244  0.622778  1
  H  H157  1  0.122040  0.340814  0.608437  1
  H  H158  1  0.098444  0.654634  0.622709  1
  H  H159  1  0.147539  0.024487  0.594199  1
  H  H160  1  0.430029  0.321676  0.622699  1
  H  H161  1  0.480797  0.691283  0.594316  1
  H  H162  1  0.814072  0.358379  0.594142  1
  H  H163  1  0.565405  0.128716  0.644390  1
  H  H164  1  0.898067  0.794400  0.644293  1
  H  H165  1  0.868946  0.112107  0.660014  1
  H  H166  1  0.226752  0.461499  0.644704  1
  H  H167  1  0.206754  0.776528  0.659600  1
  H  H168  1  0.251890  0.145574  0.629522  1
  H  H169  1  0.530880  0.440971  0.659278  1
  H  H170  1  0.582603  0.813378  0.630037  1
  H  H171  1  0.838282  0.415876  0.673204  1
  H  H172  1  0.378251  0.958362  0.652500  1
  H  H173  1  0.710079  0.623778  0.652811  1
  H  H174  1  0.686938  0.925254  0.666354  1
  H  H175  1  1.050817  0.284501  0.651255  1
  H  H176  1  1.021879  0.599091  0.666448  1
  H  H177  1  1.072628  0.972420  0.637869  1
  H  H178  1  0.352362  0.256944  0.666541  1
  H  H179  1  0.406126  0.637068  0.637691  1
  H  H180  1  0.738670  0.303753  0.636752  1
