# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.30797370
_cell_length_b   9.63550219
_cell_length_c   35.99243370
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   126.02004740
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   4293.88566756
_cell_formula_units_Z   108
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  0.877946  0.393680  0.457500  1
  H  H2  1  0.057231  0.521547  0.442302  1
  H  H3  1  0.211280  0.393680  0.457500  1
  H  H4  1  0.241531  0.631343  0.431545  1
  H  H5  1  0.390565  0.521547  0.442302  1
  H  H6  1  0.377946  -0.106320  0.457500  1
  H  H7  1  0.544613  0.393680  0.457500  1
  H  H8  1  0.574864  0.631343  0.431545  1
  H  H9  1  0.557231  0.021547  0.442302  1
  H  H10  1  0.723898  0.521547  0.442302  1
  H  H11  1  0.711280  -0.106320  0.457500  1
  H  H12  1  0.741531  0.131343  0.431545  1
  H  H13  1  0.908197  0.631343  0.431545  1
  H  H14  1  0.890565  0.021547  0.442302  1
  H  H15  1  0.044613  -0.106320  0.457500  1
  H  H16  1  0.074864  0.131343  0.431545  1
  H  H17  1  0.223898  0.021547  0.442302  1
  H  H18  1  0.408197  0.131343  0.431545  1
  H  H19  1  0.839452  0.552651  0.494282  1
  H  H20  1  0.019038  0.664968  0.483183  1
  H  H21  1  0.172785  0.552651  0.494282  1
  H  H22  1  0.198114  0.786243  0.468736  1
  H  H23  1  0.352372  0.664968  0.483183  1
  H  H24  1  0.339452  0.052651  0.494282  1
  H  H25  1  0.506118  0.552651  0.494282  1
  H  H26  1  0.531447  0.786243  0.468736  1
  H  H27  1  0.519038  0.164968  0.483183  1
  H  H28  1  0.685705  0.664968  0.483183  1
  H  H29  1  0.672785  0.052651  0.494282  1
  H  H30  1  0.698114  0.286243  0.468736  1
  H  H31  1  0.864780  0.786243  0.468736  1
  H  H32  1  0.852372  0.164968  0.483183  1
  H  H33  1  0.006118  0.052651  0.494282  1
  H  H34  1  0.031447  0.286243  0.468736  1
  H  H35  1  0.185705  0.164968  0.483183  1
  H  H36  1  0.364780  0.286243  0.468736  1
  H  H37  1  0.801597  0.704005  0.532073  1
  H  H38  1  -0.019743  0.820215  0.519508  1
  H  H39  1  0.134930  0.704005  0.532073  1
  H  H40  1  0.160509  -0.064909  0.507463  1
  H  H41  1  0.313590  0.820215  0.519508  1
  H  H42  1  0.301597  0.204005  0.532073  1
  H  H43  1  0.468264  0.704005  0.532073  1
  H  H44  1  0.493842  -0.064909  0.507463  1
  H  H45  1  0.480257  0.320215  0.519508  1
  H  H46  1  0.646924  0.820215  0.519508  1
  H  H47  1  0.634930  0.204005  0.532073  1
  H  H48  1  0.660509  0.435091  0.507463  1
  H  H49  1  0.827175  -0.064909  0.507463  1
  H  H50  1  0.813590  0.320215  0.519508  1
  H  H51  1  -0.031736  0.204005  0.532073  1
  H  H52  1  -0.006158  0.435091  0.507463  1
  H  H53  1  0.146924  0.320215  0.519508  1
  H  H54  1  0.327175  0.435091  0.507463  1
  H  H55  1  0.762554  0.856333  0.569435  1
  H  H56  1  0.942319  -0.027452  0.556987  1
  H  H57  1  0.095887  0.856333  0.569435  1
  H  H58  1  0.121347  0.088078  0.544588  1
  H  H59  1  0.275652  -0.027452  0.556987  1
  H  H60  1  0.262554  0.356333  0.569435  1
  H  H61  1  0.429220  0.856333  0.569435  1
  H  H62  1  0.454681  0.088078  0.544588  1
  H  H63  1  0.442319  0.472548  0.556987  1
  H  H64  1  0.608986  -0.027452  0.556987  1
  H  H65  1  0.595887  0.356333  0.569435  1
  H  H66  1  0.621347  0.588078  0.544588  1
  H  H67  1  0.788014  0.088078  0.544588  1
  H  H68  1  0.775652  0.472548  0.556987  1
  H  H69  1  0.929220  0.356333  0.569435  1
  H  H70  1  -0.045319  0.588078  0.544588  1
  H  H71  1  0.108986  0.472548  0.556987  1
  H  H72  1  0.288014  0.588078  0.544588  1
  H  H73  1  0.724204  0.009115  0.606981  1
  H  H74  1  0.903643  0.124830  0.594430  1
  H  H75  1  0.057538  0.009115  0.606981  1
  H  H76  1  0.083236  0.240897  0.582004  1
  H  H77  1  0.236976  0.124830  0.594430  1
  H  H78  1  0.224204  0.509115  0.606981  1
  H  H79  1  0.390871  0.009115  0.606981  1
  H  H80  1  0.416569  0.240897  0.582004  1
  H  H81  1  0.403643  0.624830  0.594430  1
  H  H82  1  0.570309  0.124830  0.594430  1
  H  H83  1  0.557538  0.509115  0.606981  1
  H  H84  1  0.583236  0.740897  0.582004  1
  H  H85  1  0.749903  0.240897  0.582004  1
  H  H86  1  0.736976  0.624830  0.594430  1
  H  H87  1  0.890871  0.509115  0.606981  1
  H  H88  1  0.916569  0.740897  0.582004  1
  H  H89  1  0.070309  0.624830  0.594430  1
  H  H90  1  0.249903  0.740897  0.582004  1
  H  H91  1  0.685688  0.161673  0.644441  1
  H  H92  1  0.865226  0.277462  0.631950  1
  H  H93  1  0.019021  0.161673  0.644441  1
  H  H94  1  0.044660  0.393287  0.619438  1
  H  H95  1  0.198559  0.277462  0.631950  1
  H  H96  1  0.185688  0.661673  0.644441  1
  H  H97  1  0.352354  0.161673  0.644441  1
  H  H98  1  0.377993  0.393287  0.619438  1
  H  H99  1  0.365226  0.777462  0.631950  1
  H  H100  1  0.531893  0.277462  0.631950  1
  H  H101  1  0.519021  0.661673  0.644441  1
  H  H102  1  0.544660  -0.106713  0.619438  1
  H  H103  1  0.711326  0.393287  0.619438  1
  H  H104  1  0.698559  0.777462  0.631950  1
  H  H105  1  0.852354  0.661673  0.644441  1
  H  H106  1  0.877993  -0.106713  0.619438  1
  H  H107  1  0.031893  0.777462  0.631950  1
  H  H108  1  0.211326  -0.106713  0.619438  1
  H  H109  1  0.647261  0.314217  0.681948  1
  H  H110  1  0.826694  0.430042  0.669436  1
  H  H111  1  -0.019406  0.314217  0.681948  1
  H  H112  1  0.006233  0.545831  0.656945  1
  H  H113  1  0.160028  0.430042  0.669436  1
  H  H114  1  0.147261  0.814217  0.681948  1
  H  H115  1  0.313927  0.314217  0.681948  1
  H  H116  1  0.339566  0.545831  0.656945  1
  H  H117  1  0.326694  -0.069958  0.669436  1
  H  H118  1  0.493361  0.430042  0.669436  1
  H  H119  1  0.480594  0.814217  0.681948  1
  H  H120  1  0.506233  0.045831  0.656945  1
  H  H121  1  0.672899  0.545831  0.656945  1
  H  H122  1  0.660028  -0.069958  0.669436  1
  H  H123  1  0.813927  0.814217  0.681948  1
  H  H124  1  0.839566  0.045831  0.656945  1
  H  H125  1  -0.006639  -0.069958  0.669436  1
  H  H126  1  0.172899  0.045831  0.656945  1
  H  H127  1  0.608685  0.466607  0.719382  1
  H  H128  1  0.788278  0.582674  0.706956  1
  H  H129  1  0.942018  0.466607  0.719382  1
  H  H130  1  -0.032284  0.698389  0.694405  1
  H  H131  1  0.121611  0.582674  0.706956  1
  H  H132  1  0.108685  -0.033393  0.719382  1
  H  H133  1  0.275351  0.466607  0.719382  1
  H  H134  1  0.301049  0.698389  0.694405  1
  H  H135  1  0.288278  0.082674  0.706956  1
  H  H136  1  0.454944  0.582674  0.706956  1
  H  H137  1  0.442018  -0.033393  0.719382  1
  H  H138  1  0.467716  0.198389  0.694405  1
  H  H139  1  0.634383  0.698389  0.694405  1
  H  H140  1  0.621611  0.082674  0.706956  1
  H  H141  1  0.775351  -0.033393  0.719382  1
  H  H142  1  0.801049  0.198389  0.694405  1
  H  H143  1  -0.045056  0.082674  0.706956  1
  H  H144  1  0.134383  0.198389  0.694405  1
  H  H145  1  0.570573  0.619426  0.756799  1
  H  H146  1  0.749601  0.734956  0.744399  1
  H  H147  1  0.903907  0.619426  0.756799  1
  H  H148  1  0.929367  0.851171  0.731951  1
  H  H149  1  0.082935  0.734956  0.744399  1
  H  H150  1  0.070573  0.119426  0.756799  1
  H  H151  1  0.237240  0.619426  0.756799  1
  H  H152  1  0.262700  0.851171  0.731951  1
  H  H153  1  0.249601  0.234956  0.744399  1
  H  H154  1  0.416268  0.734956  0.744399  1
  H  H155  1  0.403907  0.119426  0.756799  1
  H  H156  1  0.429367  0.351171  0.731951  1
  H  H157  1  0.596033  0.851171  0.731951  1
  H  H158  1  0.582935  0.234956  0.744399  1
  H  H159  1  0.737240  0.119426  0.756799  1
  H  H160  1  0.762700  0.351171  0.731951  1
  H  H161  1  0.916268  0.234956  0.744399  1
  H  H162  1  0.096033  0.351171  0.731951  1
  H  H163  1  0.531412  0.772413  0.793923  1
  H  H164  1  0.711663  0.887289  0.781878  1
  H  H165  1  0.864745  0.772413  0.793923  1
  H  H166  1  0.890324  0.003499  0.769313  1
  H  H167  1  0.044997  0.887289  0.781878  1
  H  H168  1  0.031412  0.272413  0.793923  1
  H  H169  1  0.198078  0.772413  0.793923  1
  H  H170  1  0.223657  0.003499  0.769313  1
  H  H171  1  0.211663  0.387289  0.781878  1
  H  H172  1  0.378330  0.887289  0.781878  1
  H  H173  1  0.364745  0.272413  0.793923  1
  H  H174  1  0.390324  0.503499  0.769313  1
  H  H175  1  0.556990  0.003499  0.769313  1
  H  H176  1  0.544997  0.387289  0.781878  1
  H  H177  1  0.698078  0.272413  0.793923  1
  H  H178  1  0.723657  0.503499  0.769313  1
  H  H179  1  0.878330  0.387289  0.781878  1
  H  H180  1  0.056990  0.503499  0.769313  1
  H  H181  1  0.493807  -0.078740  0.832650  1
  H  H182  1  0.672882  0.042536  0.818203  1
  H  H183  1  0.827140  -0.078740  0.832650  1
  H  H184  1  0.852469  0.154853  0.807104  1
  H  H185  1  0.006215  0.042536  0.818203  1
  H  H186  1  -0.006193  0.421260  0.832650  1
  H  H187  1  0.160473  -0.078740  0.832650  1
  H  H188  1  0.185802  0.154853  0.807104  1
  H  H189  1  0.172882  0.542536  0.818203  1
  H  H190  1  0.339549  0.042536  0.818203  1
  H  H191  1  0.327140  0.421260  0.832650  1
  H  H192  1  0.352469  0.654853  0.807104  1
  H  H193  1  0.519135  0.154853  0.807104  1
  H  H194  1  0.506215  0.542536  0.818203  1
  H  H195  1  0.660473  0.421260  0.832650  1
  H  H196  1  0.685802  0.654853  0.807104  1
  H  H197  1  0.839549  0.542536  0.818203  1
  H  H198  1  0.019135  0.654853  0.807104  1
  H  H199  1  0.450390  0.076161  0.869841  1
  H  H200  1  0.634689  0.185957  0.859084  1
  H  H201  1  0.783723  0.076161  0.869841  1
  H  H202  1  0.813974  0.313824  0.843887  1
  H  H203  1  -0.031978  0.185957  0.859084  1
  H  H204  1  -0.049610  0.576161  0.869841  1
  H  H205  1  0.117056  0.076161  0.869841  1
  H  H206  1  0.147307  0.313824  0.843887  1
  H  H207  1  0.134689  0.685957  0.859084  1
  H  H208  1  0.301356  0.185957  0.859084  1
  H  H209  1  0.283723  0.576161  0.869841  1
  H  H210  1  0.313974  0.813824  0.843887  1
  H  H211  1  0.480641  0.313824  0.843887  1
  H  H212  1  0.468022  0.685957  0.859084  1
  H  H213  1  0.617056  0.576161  0.869841  1
  H  H214  1  0.647307  0.813824  0.843887  1
  H  H215  1  0.801356  0.685957  0.859084  1
  H  H216  1  -0.019359  0.813824  0.843887  1
