# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92971531
_cell_length_b   12.36971146
_cell_length_c   46.83280556
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.70521843
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   4351.11289407
_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  0.497339  0.529156  0.284986  1
  H  H2  1  0.997339  0.529156  0.284986  1
  H  H3  1  0.895574  0.870160  0.278567  1
  H  H4  1  0.065986  0.181965  0.292860  1
  H  H5  1  0.395574  0.870160  0.278567  1
  H  H6  1  0.565986  0.181965  0.292860  1
  H  H7  1  0.372082  0.681932  0.292853  1
  H  H8  1  0.872082  0.681932  0.292853  1
  H  H9  1  0.788013  0.029123  0.284986  1
  H  H10  1  0.230733  0.370225  0.278559  1
  H  H11  1  0.288013  0.029123  0.284986  1
  H  H12  1  0.730733  0.370225  0.278559  1
  H  H13  1  0.224310  0.504422  0.312165  1
  H  H14  1  0.724310  0.504422  0.312165  1
  H  H15  1  0.633154  0.841492  0.303395  1
  H  H16  1  0.800604  0.164416  0.319740  1
  H  H17  1  0.133154  0.841492  0.303395  1
  H  H18  1  0.300604  0.164416  0.319740  1
  H  H19  1  0.119961  0.664423  0.319739  1
  H  H20  1  0.619961  0.664423  0.319739  1
  H  H21  1  0.536291  0.004429  0.312158  1
  H  H22  1  0.964463  0.341508  0.303388  1
  H  H23  1  0.036291  0.004429  0.312158  1
  H  H24  1  0.464463  0.341508  0.303388  1
  H  H25  1  0.960065  0.483396  0.335984  1
  H  H26  1  0.460065  0.483396  0.335984  1
  H  H27  1  0.374873  0.822812  0.328493  1
  H  H28  1  0.536933  0.144854  0.344295  1
  H  H29  1  0.874873  0.822812  0.328493  1
  H  H30  1  0.036933  0.144854  0.344295  1
  H  H31  1  0.864093  0.644863  0.344292  1
  H  H32  1  0.364093  0.644863  0.344292  1
  H  H33  1  0.279512  0.983398  0.335981  1
  H  H34  1  0.704094  0.322817  0.328490  1
  H  H35  1  0.779512  0.983398  0.335981  1
  H  H36  1  0.204094  0.322817  0.328490  1
  H  H37  1  0.697970  0.464653  0.360806  1
  H  H38  1  0.197970  0.464653  0.360806  1
  H  H39  1  0.115560  0.804498  0.352984  1
  H  H40  1  0.275741  0.125124  0.368768  1
  H  H41  1  0.615560  0.804498  0.352984  1
  H  H42  1  0.775741  0.125124  0.368768  1
  H  H43  1  0.605573  0.625128  0.368765  1
  H  H44  1  0.105573  0.625128  0.368765  1
  H  H45  1  0.022879  0.964658  0.360801  1
  H  H46  1  0.445114  0.304499  0.352980  1
  H  H47  1  0.522879  0.964658  0.360801  1
  H  H48  1  0.945114  0.304499  0.352980  1
  H  H49  1  0.436623  0.445972  0.385016  1
  H  H50  1  0.936623  0.445972  0.385016  1
  H  H51  1  0.855687  0.785253  0.377340  1
  H  H52  1  0.015512  0.106475  0.393177  1
  H  H53  1  0.355687  0.785253  0.377340  1
  H  H54  1  0.515512  0.106475  0.393177  1
  H  H55  1  0.347165  0.606478  0.393175  1
  H  H56  1  0.847165  0.606478  0.393175  1
  H  H57  1  0.765556  0.945978  0.385012  1
  H  H58  1  0.185761  0.285255  0.377337  1
  H  H59  1  0.265556  0.945978  0.385012  1
  H  H60  1  0.685761  0.285255  0.377337  1
  H  H61  1  0.176252  0.427245  0.409416  1
  H  H62  1  0.676252  0.427245  0.409416  1
  H  H63  1  0.596067  0.766686  0.401549  1
  H  H64  1  0.755787  0.087565  0.417453  1
  H  H65  1  0.096067  0.766686  0.401549  1
  H  H66  1  0.255787  0.087565  0.417453  1
  H  H67  1  0.087986  0.587566  0.417452  1
  H  H68  1  0.587986  0.587566  0.417452  1
  H  H69  1  0.507206  0.927249  0.409412  1
  H  H70  1  0.926826  0.266689  0.401546  1
  H  H71  1  0.007206  0.927249  0.409412  1
  H  H72  1  0.426826  0.266689  0.401546  1
  H  H73  1  0.916337  0.408425  0.433675  1
  H  H74  1  0.416337  0.408425  0.433675  1
  H  H75  1  0.336320  0.747847  0.425779  1
  H  H76  1  0.496325  0.068754  0.441782  1
  H  H77  1  0.836320  0.747847  0.425779  1
  H  H78  1  0.996325  0.068754  0.441782  1
  H  H79  1  0.828640  0.568755  0.441781  1
  H  H80  1  0.328640  0.568755  0.441781  1
  H  H81  1  0.248302  0.908428  0.433672  1
  H  H82  1  0.667739  0.247849  0.425776  1
  H  H83  1  0.748302  0.908428  0.433672  1
  H  H84  1  0.167739  0.247849  0.425776  1
  H  H85  1  0.656676  0.389503  0.457980  1
  H  H86  1  0.156676  0.389503  0.457980  1
  H  H87  1  0.076761  0.729037  0.449988  1
  H  H88  1  0.236906  0.049871  0.466032  1
  H  H89  1  0.576761  0.729037  0.449988  1
  H  H90  1  0.736906  0.049871  0.466032  1
  H  H91  1  0.569178  0.549873  0.466030  1
  H  H92  1  0.069178  0.549873  0.466030  1
  H  H93  1  0.989041  0.889506  0.457978  1
  H  H94  1  0.408490  0.229039  0.449986  1
  H  H95  1  0.489041  0.889506  0.457978  1
  H  H96  1  0.908490  0.229039  0.449986  1
  H  H97  1  0.397163  0.370612  0.482245  1
  H  H98  1  0.897163  0.370612  0.482245  1
  H  H99  1  0.817215  0.710191  0.474241  1
  H  H100  1  0.977533  0.030994  0.490306  1
  H  H101  1  0.317215  0.710191  0.474241  1
  H  H102  1  0.477533  0.030994  0.490306  1
  H  H103  1  0.309674  0.530995  0.490305  1
  H  H104  1  0.809674  0.530995  0.490305  1
  H  H105  1  0.729664  0.870615  0.482243  1
  H  H106  1  0.149191  0.210192  0.474239  1
  H  H107  1  0.229664  0.870615  0.482243  1
  H  H108  1  0.649191  0.210192  0.474239  1
  H  H109  1  0.137707  0.351702  0.506537  1
  H  H110  1  0.637707  0.351702  0.506537  1
  H  H111  1  0.557698  0.691322  0.498475  1
  H  H112  1  0.718181  0.012125  0.514540  1
  H  H113  1  0.057698  0.691322  0.498475  1
  H  H114  1  0.218181  0.012125  0.514540  1
  H  H115  1  0.050157  0.512126  0.514539  1
  H  H116  1  0.550157  0.512126  0.514539  1
  H  H117  1  0.470209  0.851705  0.506534  1
  H  H118  1  0.889839  0.191323  0.498473  1
  H  H119  1  0.970209  0.851705  0.506534  1
  H  H120  1  0.389839  0.191323  0.498473  1
  H  H121  1  0.878330  0.332811  0.530802  1
  H  H122  1  0.378330  0.332811  0.530802  1
  H  H123  1  0.298194  0.672445  0.522749  1
  H  H124  1  0.458882  0.993278  0.538794  1
  H  H125  1  0.798194  0.672445  0.522749  1
  H  H126  1  0.958882  0.993278  0.538794  1
  H  H127  1  0.790610  0.493280  0.538792  1
  H  H128  1  0.290610  0.493280  0.538792  1
  H  H129  1  0.210696  0.832814  0.530799  1
  H  H130  1  0.630465  0.172446  0.522748  1
  H  H131  1  0.710696  0.832814  0.530799  1
  H  H132  1  0.130465  0.172446  0.522748  1
  H  H133  1  0.619070  0.313889  0.555107  1
  H  H134  1  0.119070  0.313889  0.555107  1
  H  H135  1  0.038732  0.653562  0.546999  1
  H  H136  1  0.199633  0.974468  0.563004  1
  H  H137  1  0.538732  0.653562  0.546999  1
  H  H138  1  0.699633  0.974468  0.563004  1
  H  H139  1  0.531052  0.474470  0.563001  1
  H  H140  1  0.031052  0.474470  0.563001  1
  H  H141  1  0.951035  0.813892  0.555104  1
  H  H142  1  0.371046  0.153563  0.546997  1
  H  H143  1  0.451035  0.813892  0.555104  1
  H  H144  1  0.871046  0.153563  0.546997  1
  H  H145  1  0.360166  0.295068  0.579368  1
  H  H146  1  0.860166  0.295068  0.579368  1
  H  H147  1  0.779386  0.634751  0.571328  1
  H  H148  1  0.940546  0.955628  0.587234  1
  H  H149  1  0.279386  0.634751  0.571328  1
  H  H150  1  0.440546  0.955628  0.587234  1
  H  H151  1  0.271305  0.455631  0.587231  1
  H  H152  1  0.771305  0.455631  0.587231  1
  H  H153  1  0.691120  0.795072  0.579364  1
  H  H154  1  0.111584  0.134752  0.571326  1
  H  H155  1  0.191120  0.795072  0.579364  1
  H  H156  1  0.611584  0.134752  0.571326  1
  H  H157  1  0.101815  0.276339  0.603768  1
  H  H158  1  0.601815  0.276339  0.603768  1
  H  H159  1  0.520207  0.615839  0.595605  1
  H  H160  1  0.681611  0.937062  0.611443  1
  H  H161  1  0.020207  0.615839  0.595605  1
  H  H162  1  0.181611  0.937062  0.611443  1
  H  H163  1  0.011685  0.437064  0.611439  1
  H  H164  1  0.511685  0.437064  0.611439  1
  H  H165  1  0.430749  0.776345  0.603764  1
  H  H166  1  0.851860  0.115842  0.595603  1
  H  H167  1  0.930749  0.776345  0.603764  1
  H  H168  1  0.351860  0.115842  0.595603  1
  H  H169  1  0.844493  0.257659  0.627978  1
  H  H170  1  0.344493  0.257659  0.627978  1
  H  H171  1  0.261798  0.597189  0.620015  1
  H  H172  1  0.422258  0.917818  0.635800  1
  H  H173  1  0.761798  0.597189  0.620015  1
  H  H174  1  0.922258  0.917818  0.635800  1
  H  H175  1  0.751812  0.417819  0.635796  1
  H  H176  1  0.251812  0.417819  0.635796  1
  H  H177  1  0.169401  0.757664  0.627973  1
  H  H178  1  0.591631  0.097193  0.620012  1
  H  H179  1  0.669401  0.757664  0.627973  1
  H  H180  1  0.091631  0.097193  0.620012  1
  H  H181  1  0.587860  0.238919  0.652799  1
  H  H182  1  0.087860  0.238919  0.652799  1
  H  H183  1  1.003279  0.577454  0.644488  1
  H  H184  1  0.163278  0.899500  0.660290  1
  H  H185  1  0.503279  0.577454  0.644488  1
  H  H186  1  0.663278  0.899500  0.660290  1
  H  H187  1  0.492498  0.399506  0.660286  1
  H  H188  1  0.992498  0.399506  0.660286  1
  H  H189  1  0.907306  0.738921  0.652796  1
  H  H190  1  0.330438  0.077464  0.644485  1
  H  H191  1  0.407306  0.738921  0.652796  1
  H  H192  1  0.830438  0.077464  0.644485  1
  H  H193  1  0.331081  0.217888  0.676621  1
  H  H194  1  0.831081  0.217888  0.676621  1
  H  H195  1  0.747411  0.557894  0.669041  1
  H  H196  1  0.902909  0.880809  0.685392  1
  H  H197  1  0.247411  0.557894  0.669041  1
  H  H198  1  0.402909  0.880809  0.685392  1
  H  H199  1  0.234218  0.380825  0.685385  1
  H  H200  1  0.734218  0.380825  0.685385  1
  H  H201  1  0.643062  0.717895  0.676615  1
  H  H202  1  0.066768  0.057901  0.669040  1
  H  H203  1  0.143062  0.717895  0.676615  1
  H  H204  1  0.566768  0.057901  0.669040  1
  H  H205  1  0.079358  0.193194  0.703793  1
  H  H206  1  0.579358  0.193194  0.703793  1
  H  H207  1  0.495289  0.540385  0.695926  1
  H  H208  1  0.636639  0.852092  0.710221  1
  H  H209  1  0.995289  0.540385  0.695926  1
  H  H210  1  0.136639  0.852092  0.710221  1
  H  H211  1  0.971798  0.352157  0.710213  1
  H  H212  1  0.471798  0.352157  0.710213  1
  H  H213  1  0.370033  0.693162  0.703794  1
  H  H214  1  0.801386  0.040353  0.695920  1
  H  H215  1  0.870033  0.693162  0.703794  1
  H  H216  1  0.301386  0.040353  0.695920  1
