# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03087956
_cell_length_b   11.70943946
_cell_length_c   50.36102721
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.11712631
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H180
_cell_volume   3553.97843787
_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  0.695649  0.356803  0.278758  1
  H  H2  1  0.652765  0.043389  0.263700  1
  H  H3  1  0.723455  0.675318  0.296038  1
  H  H4  1  0.028983  0.023469  0.278758  1
  H  H5  1  0.986098  0.710056  0.263700  1
  H  H6  1  0.362316  0.690136  0.278758  1
  H  H7  1  0.056789  0.341985  0.296038  1
  H  H8  1  0.319431  0.376722  0.263700  1
  H  H9  1  0.390122  0.008651  0.296038  1
  H  H10  1  0.635894  0.177221  0.296919  1
  H  H11  1  0.623364  0.852332  0.279173  1
  H  H12  1  0.587306  0.541508  0.265090  1
  H  H13  1  0.969228  0.843887  0.296919  1
  H  H14  1  0.956697  0.518998  0.279173  1
  H  H15  1  0.302561  0.510554  0.296919  1
  H  H16  1  0.920640  0.208174  0.265090  1
  H  H17  1  0.290030  0.185665  0.279173  1
  H  H18  1  0.253973  0.874841  0.265090  1
  H  H19  1  0.770295  0.317004  0.325765  1
  H  H20  1  0.747980  0.996716  0.310214  1
  H  H21  1  0.791621  0.637358  0.340943  1
  H  H22  1  0.103628  0.983671  0.325765  1
  H  H23  1  0.081313  0.663383  0.310214  1
  H  H24  1  0.436961  0.650337  0.325765  1
  H  H25  1  0.124955  0.304025  0.340943  1
  H  H26  1  0.414647  0.330050  0.310214  1
  H  H27  1  0.458288  0.970692  0.340943  1
  H  H28  1  0.692746  0.136257  0.341596  1
  H  H29  1  0.672847  0.817133  0.326405  1
  H  H30  1  0.657022  0.494550  0.311101  1
  H  H31  1  0.026080  0.802924  0.341596  1
  H  H32  1  0.006180  0.483800  0.326405  1
  H  H33  1  0.359413  0.469591  0.341596  1
  H  H34  1  0.990355  0.161216  0.311101  1
  H  H35  1  0.339513  0.150466  0.326405  1
  H  H36  1  0.323689  0.827883  0.311101  1
  H  H37  1  0.831838  0.278099  0.371159  1
  H  H38  1  0.812195  0.957647  0.355920  1
  H  H39  1  0.851749  0.598509  0.386284  1
  H  H40  1  0.165172  0.944765  0.371159  1
  H  H41  1  0.145528  0.624314  0.355920  1
  H  H42  1  0.498505  0.611432  0.371159  1
  H  H43  1  0.185082  0.265175  0.386284  1
  H  H44  1  0.478861  0.290980  0.355920  1
  H  H45  1  0.518415  0.931842  0.386284  1
  H  H46  1  0.750261  0.097863  0.386766  1
  H  H47  1  0.730591  0.777696  0.371645  1
  H  H48  1  0.711424  0.457276  0.356566  1
  H  H49  1  0.083595  0.764529  0.386766  1
  H  H50  1  0.063924  0.444362  0.371645  1
  H  H51  1  0.416928  0.431196  0.386766  1
  H  H52  1  0.044757  0.123943  0.356566  1
  H  H53  1  0.397258  0.111029  0.371645  1
  H  H54  1  0.378091  0.790609  0.356566  1
  H  H55  1  0.891044  0.239167  0.416541  1
  H  H56  1  0.871398  0.918798  0.401394  1
  H  H57  1  0.910732  0.559545  0.431670  1
  H  H58  1  0.224377  0.905833  0.416541  1
  H  H59  1  0.204731  0.585465  0.401394  1
  H  H60  1  0.557710  0.572500  0.416541  1
  H  H61  1  0.244066  0.226211  0.431670  1
  H  H62  1  0.538065  0.252131  0.401394  1
  H  H63  1  0.577399  0.892878  0.431670  1
  H  H64  1  0.809250  0.059075  0.432113  1
  H  H65  1  0.789532  0.738737  0.416990  1
  H  H66  1  0.769894  0.418377  0.401870  1
  H  H67  1  0.142583  0.725741  0.432113  1
  H  H68  1  0.122865  0.405404  0.416990  1
  H  H69  1  0.475916  0.392408  0.432113  1
  H  H70  1  0.103228  0.085044  0.401870  1
  H  H71  1  0.456199  0.072071  0.416990  1
  H  H72  1  0.436561  0.751711  0.401870  1
  H  H73  1  0.950070  0.200258  0.461926  1
  H  H74  1  0.930401  0.879895  0.446795  1
  H  H75  1  0.969746  0.520625  0.477053  1
  H  H76  1  0.283404  0.866925  0.461926  1
  H  H77  1  0.263734  0.546562  0.446795  1
  H  H78  1  0.616737  0.533592  0.461926  1
  H  H79  1  0.303080  0.187291  0.477053  1
  H  H80  1  0.597068  0.213228  0.446795  1
  H  H81  1  0.636413  0.853958  0.477053  1
  H  H82  1  0.868282  0.020185  0.477489  1
  H  H83  1  0.848602  0.699826  0.462362  1
  H  H84  1  0.828928  0.379459  0.447236  1
  H  H85  1  0.201615  0.686852  0.477489  1
  H  H86  1  0.181936  0.366492  0.462362  1
  H  H87  1  0.534949  0.353518  0.477489  1
  H  H88  1  0.162261  0.046125  0.447236  1
  H  H89  1  0.515269  0.033159  0.462362  1
  H  H90  1  0.495594  0.712792  0.447236  1
  H  H91  1  0.009099  0.161350  0.507306  1
  H  H92  1  0.989419  0.840990  0.492180  1
  H  H93  1  0.028774  0.481717  0.522433  1
  H  H94  1  0.342432  0.828016  0.507306  1
  H  H95  1  0.322753  0.507657  0.492180  1
  H  H96  1  0.675766  0.494683  0.507306  1
  H  H97  1  0.362107  0.148383  0.522433  1
  H  H98  1  0.656086  0.174324  0.492180  1
  H  H99  1  0.695441  0.815050  0.522433  1
  H  H100  1  0.927301  0.981280  0.522873  1
  H  H101  1  0.907631  0.660917  0.507743  1
  H  H102  1  0.887955  0.340551  0.492615  1
  H  H103  1  0.260634  0.647947  0.522873  1
  H  H104  1  0.240964  0.327584  0.507743  1
  H  H105  1  0.593967  0.314614  0.522873  1
  H  H106  1  0.221288  0.007217  0.492615  1
  H  H107  1  0.574298  0.994250  0.507743  1
  H  H108  1  0.554622  0.673884  0.492615  1
  H  H109  1  0.068169  0.122438  0.552679  1
  H  H110  1  0.048452  0.802101  0.537556  1
  H  H111  1  0.087807  0.442798  0.567798  1
  H  H112  1  0.401503  0.789105  0.552679  1
  H  H113  1  0.381785  0.468767  0.537556  1
  H  H114  1  0.734836  0.455771  0.552679  1
  H  H115  1  0.421140  0.109465  0.567798  1
  H  H116  1  0.715119  0.135434  0.537556  1
  H  H117  1  0.754474  0.776131  0.567798  1
  H  H118  1  0.986304  0.942377  0.568274  1
  H  H119  1  0.966658  0.622009  0.553128  1
  H  H120  1  0.946969  0.301631  0.537999  1
  H  H121  1  0.319637  0.609044  0.568274  1
  H  H122  1  0.299991  0.288675  0.553128  1
  H  H123  1  0.652970  0.275711  0.568274  1
  H  H124  1  0.280303  0.968297  0.537999  1
  H  H125  1  0.633324  0.955342  0.553128  1
  H  H126  1  0.613636  0.634964  0.537999  1
  H  H127  1  0.127110  0.083480  0.598023  1
  H  H128  1  0.107440  0.763313  0.582903  1
  H  H129  1  0.146277  0.403899  0.613102  1
  H  H130  1  0.460444  0.750146  0.598023  1
  H  H131  1  0.440774  0.429979  0.582903  1
  H  H132  1  0.793777  0.416813  0.598023  1
  H  H133  1  0.479611  0.070566  0.613102  1
  H  H134  1  0.774107  0.096646  0.582903  1
  H  H135  1  0.812944  0.737233  0.613102  1
  H  H136  1  0.045507  0.903528  0.613749  1
  H  H137  1  0.025863  0.583077  0.598510  1
  H  H138  1  0.005953  0.262667  0.583385  1
  H  H139  1  0.378840  0.570195  0.613749  1
  H  H140  1  0.359196  0.249743  0.598510  1
  H  H141  1  0.712173  0.236862  0.613749  1
  H  H142  1  0.339286  0.929333  0.583385  1
  H  H143  1  0.692530  0.916410  0.598510  1
  H  H144  1  0.672619  0.596000  0.583385  1
  H  H145  1  0.184855  0.044042  0.643264  1
  H  H146  1  0.164955  0.724918  0.628073  1
  H  H147  1  0.200679  0.366626  0.658568  1
  H  H148  1  0.518188  0.710709  0.643264  1
  H  H149  1  0.498289  0.391585  0.628073  1
  H  H150  1  0.851521  0.377376  0.643264  1
  H  H151  1  0.534013  0.033292  0.658568  1
  H  H152  1  0.831622  0.058251  0.628073  1
  H  H153  1  0.867346  0.699959  0.658568  1
  H  H154  1  0.109722  0.864459  0.659455  1
  H  H155  1  0.087407  0.544171  0.643904  1
  H  H156  1  0.066080  0.223817  0.628726  1
  H  H157  1  0.443055  0.531126  0.659455  1
  H  H158  1  0.420740  0.210838  0.643904  1
  H  H159  1  0.776388  0.197792  0.659455  1
  H  H160  1  0.399414  0.890483  0.628726  1
  H  H161  1  0.754073  0.877504  0.643904  1
  H  H162  1  0.732747  0.557150  0.628726  1
  H  H163  1  0.234338  0.008844  0.690495  1
  H  H164  1  0.221807  0.683955  0.672749  1
  H  H165  1  0.270395  0.319668  0.704579  1
  H  H166  1  0.567671  0.675510  0.690495  1
  H  H167  1  0.555140  0.350621  0.672749  1
  H  H168  1  0.901004  0.342177  0.690495  1
  H  H169  1  0.603729  0.986334  0.704579  1
  H  H170  1  0.888474  0.017288  0.672749  1
  H  H171  1  0.937062  0.653001  0.704579  1
  H  H172  1  0.204937  0.817786  0.705969  1
  H  H173  1  0.162052  0.504372  0.690911  1
  H  H174  1  0.134246  0.185857  0.673631  1
  H  H175  1  0.538270  0.484453  0.705969  1
  H  H176  1  0.495386  0.171039  0.690911  1
  H  H177  1  0.871604  0.151120  0.705969  1
  H  H178  1  0.467580  0.852524  0.673631  1
  H  H179  1  0.828719  0.837706  0.690911  1
  H  H180  1  0.800913  0.519190  0.673631  1
