# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.56529685
_cell_length_b   10.34702114
_cell_length_c   54.84888603
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   73.27052730
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H360
_cell_volume   7372.76508579
_cell_formula_units_Z   180
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  0.763320  0.255761  0.309269  1
  H  H2  1  0.429987  0.255761  0.309269  1
  H  H3  1  0.863206  0.523283  0.249812  1
  H  H4  1  1.096653  0.255761  0.309269  1
  H  H5  1  0.529872  0.523283  0.249812  1
  H  H6  1  0.815949  0.385668  0.278759  1
  H  H7  1  0.196539  0.523283  0.249812  1
  H  H8  1  0.482616  0.385668  0.278759  1
  H  H9  1  1.149283  0.385668  0.278759  1
  H  H10  1  0.895229  0.735538  0.257527  1
  H  H11  1  0.561896  0.735538  0.257527  1
  H  H12  1  0.843939  0.606515  0.288358  1
  H  H13  1  0.228562  0.735538  0.257527  1
  H  H14  1  0.510605  0.606515  0.288358  1
  H  H15  1  0.792986  0.470834  0.316843  1
  H  H16  1  0.177272  0.606515  0.288358  1
  H  H17  1  0.459652  0.470834  0.316843  1
  H  H18  1  1.126319  0.470834  0.316843  1
  H  H19  1  0.759015  0.949671  0.264489  1
  H  H20  1  0.425682  0.949671  0.264489  1
  H  H21  1  0.706848  0.821576  0.295792  1
  H  H22  1  1.092348  0.949671  0.264489  1
  H  H23  1  0.373515  0.821576  0.295792  1
  H  H24  1  0.653209  0.692799  0.326607  1
  H  H25  1  1.040181  0.821576  0.295792  1
  H  H26  1  0.319876  0.692799  0.326607  1
  H  H27  1  0.986542  0.692799  0.326607  1
  H  H28  1  0.733175  0.041378  0.302072  1
  H  H29  1  0.399842  0.041378  0.302072  1
  H  H30  1  0.679033  0.916754  0.332855  1
  H  H31  1  1.066509  0.041378  0.302072  1
  H  H32  1  0.345700  0.916754  0.332855  1
  H  H33  1  0.786241  0.170001  0.270777  1
  H  H34  1  1.012367  0.916754  0.332855  1
  H  H35  1  0.452908  0.170001  0.270777  1
  H  H36  1  1.119575  0.170001  0.270777  1
  H  H37  1  0.596653  0.255761  0.309269  1
  H  H38  1  0.263320  0.255761  0.309269  1
  H  H39  1  0.696539  0.523283  0.249812  1
  H  H40  1  0.929987  0.255761  0.309269  1
  H  H41  1  0.363206  0.523283  0.249812  1
  H  H42  1  0.649283  0.385668  0.278759  1
  H  H43  1  1.029872  0.523283  0.249812  1
  H  H44  1  0.315949  0.385668  0.278759  1
  H  H45  1  0.982616  0.385668  0.278759  1
  H  H46  1  0.626319  0.470834  0.316843  1
  H  H47  1  0.292986  0.470834  0.316843  1
  H  H48  1  0.728562  0.735538  0.257527  1
  H  H49  1  0.959652  0.470834  0.316843  1
  H  H50  1  0.395229  0.735538  0.257527  1
  H  H51  1  0.677272  0.606515  0.288358  1
  H  H52  1  1.061896  0.735538  0.257527  1
  H  H53  1  0.343939  0.606515  0.288358  1
  H  H54  1  1.010605  0.606515  0.288358  1
  H  H55  1  0.592348  0.949671  0.264489  1
  H  H56  1  0.259015  0.949671  0.264489  1
  H  H57  1  0.540181  0.821576  0.295792  1
  H  H58  1  0.925682  0.949671  0.264489  1
  H  H59  1  0.206848  0.821576  0.295792  1
  H  H60  1  0.486542  0.692799  0.326607  1
  H  H61  1  0.873515  0.821576  0.295792  1
  H  H62  1  1.153209  0.692799  0.326607  1
  H  H63  1  0.819876  0.692799  0.326607  1
  H  H64  1  0.619575  0.170001  0.270777  1
  H  H65  1  0.286241  0.170001  0.270777  1
  H  H66  1  0.566509  0.041378  0.302072  1
  H  H67  1  0.952908  0.170001  0.270777  1
  H  H68  1  0.233175  0.041378  0.302072  1
  H  H69  1  0.512367  0.916754  0.332855  1
  H  H70  1  0.899842  0.041378  0.302072  1
  H  H71  1  0.179033  0.916754  0.332855  1
  H  H72  1  0.845700  0.916754  0.332855  1
  H  H73  1  0.701668  0.835776  0.401402  1
  H  H74  1  0.368334  0.835776  0.401402  1
  H  H75  1  0.711056  0.129041  0.340235  1
  H  H76  1  1.035001  0.835776  0.401402  1
  H  H77  1  0.377723  0.129041  0.340235  1
  H  H78  1  0.750330  0.968155  0.370439  1
  H  H79  1  1.044389  0.129041  0.340235  1
  H  H80  1  0.416997  0.968155  0.370439  1
  H  H81  1  1.083663  0.968155  0.370439  1
  H  H82  1  0.743787  0.338573  0.347586  1
  H  H83  1  0.410453  0.338573  0.347586  1
  H  H84  1  0.783156  0.177421  0.377686  1
  H  H85  1  1.077120  0.338573  0.347586  1
  H  H86  1  0.449822  0.177421  0.377686  1
  H  H87  1  0.731402  0.050130  0.408947  1
  H  H88  1  1.116489  0.177421  0.377686  1
  H  H89  1  0.398069  0.050130  0.408947  1
  H  H90  1  1.064736  0.050130  0.408947  1
  H  H91  1  0.612517  0.544859  0.354998  1
  H  H92  1  0.279183  0.544859  0.354998  1
  H  H93  1  0.648129  0.390707  0.384964  1
  H  H94  1  0.945850  0.544859  0.354998  1
  H  H95  1  0.314796  0.390707  0.384964  1
  H  H96  1  0.592932  0.267268  0.415643  1
  H  H97  1  0.981462  0.390707  0.384964  1
  H  H98  1  0.259598  0.267268  0.415643  1
  H  H99  1  0.926265  0.267268  0.415643  1
  H  H100  1  0.675015  0.613996  0.391362  1
  H  H101  1  0.341681  0.613996  0.391362  1
  H  H102  1  0.620984  0.484653  0.422308  1
  H  H103  1  1.008348  0.613996  0.391362  1
  H  H104  1  0.287651  0.484653  0.422308  1
  H  H105  1  0.715108  0.762704  0.363007  1
  H  H106  1  0.954317  0.484653  0.422308  1
  H  H107  1  0.381775  0.762704  0.363007  1
  H  H108  1  1.048441  0.762704  0.363007  1
  H  H109  1  0.535001  0.835776  0.401402  1
  H  H110  1  0.201668  0.835776  0.401402  1
  H  H111  1  0.544389  0.129041  0.340235  1
  H  H112  1  0.868334  0.835776  0.401402  1
  H  H113  1  0.211056  0.129041  0.340235  1
  H  H114  1  0.583663  0.968155  0.370439  1
  H  H115  1  0.877723  0.129041  0.340235  1
  H  H116  1  0.250330  0.968155  0.370439  1
  H  H117  1  0.916997  0.968155  0.370439  1
  H  H118  1  0.564736  0.050130  0.408947  1
  H  H119  1  0.231402  0.050130  0.408947  1
  H  H120  1  0.577120  0.338573  0.347586  1
  H  H121  1  0.898069  0.050130  0.408947  1
  H  H122  1  0.243787  0.338573  0.347586  1
  H  H123  1  0.616489  0.177421  0.377686  1
  H  H124  1  0.910453  0.338573  0.347586  1
  H  H125  1  0.283156  0.177421  0.377686  1
  H  H126  1  0.949822  0.177421  0.377686  1
  H  H127  1  0.445850  0.544859  0.354998  1
  H  H128  1  1.112517  0.544859  0.354998  1
  H  H129  1  0.481462  0.390707  0.384964  1
  H  H130  1  0.779183  0.544859  0.354998  1
  H  H131  1  1.148129  0.390707  0.384964  1
  H  H132  1  0.426265  0.267268  0.415643  1
  H  H133  1  0.814796  0.390707  0.384964  1
  H  H134  1  1.092932  0.267268  0.415643  1
  H  H135  1  0.759598  0.267268  0.415643  1
  H  H136  1  0.548441  0.762704  0.363007  1
  H  H137  1  0.215108  0.762704  0.363007  1
  H  H138  1  0.508348  0.613996  0.391362  1
  H  H139  1  0.881775  0.762704  0.363007  1
  H  H140  1  0.175015  0.613996  0.391362  1
  H  H141  1  0.454317  0.484653  0.422308  1
  H  H142  1  0.841681  0.613996  0.391362  1
  H  H143  1  1.120984  0.484653  0.422308  1
  H  H144  1  0.787651  0.484653  0.422308  1
  H  H145  1  0.641304  0.405517  0.490979  1
  H  H146  1  0.307970  0.405517  0.490979  1
  H  H147  1  0.650562  0.699216  0.429821  1
  H  H148  1  0.974637  0.405517  0.490979  1
  H  H149  1  0.317228  0.699216  0.429821  1
  H  H150  1  0.601893  0.566691  0.460760  1
  H  H151  1  0.983895  0.699216  0.429821  1
  H  H152  1  0.268559  0.566691  0.460760  1
  H  H153  1  0.935226  0.566691  0.460760  1
  H  H154  1  0.677482  0.921125  0.439909  1
  H  H155  1  0.344148  0.921125  0.439909  1
  H  H156  1  0.637122  0.772561  0.468152  1
  H  H157  1  1.010815  0.921125  0.439909  1
  H  H158  1  0.303789  0.772561  0.468152  1
  H  H159  1  0.672869  0.618746  0.498203  1
  H  H160  1  0.970455  0.772561  0.468152  1
  H  H161  1  0.339536  0.618746  0.498203  1
  H  H162  1  1.006203  0.618746  0.498203  1
  H  H163  1  0.537753  0.143929  0.446355  1
  H  H164  1  0.204420  0.143929  0.446355  1
  H  H165  1  0.573501  -0.009886  0.476406  1
  H  H166  1  0.871087  0.143929  0.446355  1
  H  H167  1  0.240167  -0.009886  0.476406  1
  H  H168  1  0.533141  0.841550  0.504649  1
  H  H169  1  0.906834  -0.009886  0.476406  1
  H  H170  1  0.199808  0.841550  0.504649  1
  H  H171  1  0.866474  0.841550  0.504649  1
  H  H172  1  0.608730  0.195984  0.483798  1
  H  H173  1  0.275397  0.195984  0.483798  1
  H  H174  1  0.560061  0.063459  0.514737  1
  H  H175  1  0.942063  0.195984  0.483798  1
  H  H176  1  0.226728  0.063459  0.514737  1
  H  H177  1  0.569319  0.357158  0.453580  1
  H  H178  1  0.893394  0.063459  0.514737  1
  H  H179  1  0.235986  0.357158  0.453580  1
  H  H180  1  0.902652  0.357158  0.453580  1
  H  H181  1  0.474637  0.405517  0.490979  1
  H  H182  1  1.141304  0.405517  0.490979  1
  H  H183  1  0.483895  0.699216  0.429821  1
  H  H184  1  0.807970  0.405517  0.490979  1
  H  H185  1  1.150562  0.699216  0.429821  1
  H  H186  1  0.435226  0.566691  0.460760  1
  H  H187  1  0.817228  0.699216  0.429821  1
  H  H188  1  1.101893  0.566691  0.460760  1
  H  H189  1  0.768559  0.566691  0.460760  1
  H  H190  1  0.506203  0.618746  0.498203  1
  H  H191  1  0.172869  0.618746  0.498203  1
  H  H192  1  0.510815  0.921125  0.439909  1
  H  H193  1  0.839536  0.618746  0.498203  1
  H  H194  1  0.177482  0.921125  0.439909  1
  H  H195  1  0.470455  0.772561  0.468152  1
  H  H196  1  0.844148  0.921125  0.439909  1
  H  H197  1  1.137122  0.772561  0.468152  1
  H  H198  1  0.803789  0.772561  0.468152  1
  H  H199  1  0.371087  0.143929  0.446355  1
  H  H200  1  1.037753  0.143929  0.446355  1
  H  H201  1  0.406834  -0.009886  0.476406  1
  H  H202  1  0.704420  0.143929  0.446355  1
  H  H203  1  1.073501  -0.009886  0.476406  1
  H  H204  1  0.366474  0.841550  0.504649  1
  H  H205  1  0.740167  -0.009886  0.476406  1
  H  H206  1  1.033141  0.841550  0.504649  1
  H  H207  1  0.699808  0.841550  0.504649  1
  H  H208  1  0.402652  0.357158  0.453580  1
  H  H209  1  1.069319  0.357158  0.453580  1
  H  H210  1  0.442063  0.195984  0.483798  1
  H  H211  1  0.735986  0.357158  0.453580  1
  H  H212  1  1.108730  0.195984  0.483798  1
  H  H213  1  0.393394  0.063459  0.514737  1
  H  H214  1  0.775397  0.195984  0.483798  1
  H  H215  1  1.060061  0.063459  0.514737  1
  H  H216  1  0.726728  0.063459  0.514737  1
  H  H217  1  0.495515  -0.000029  0.581551  1
  H  H218  1  0.162181  -0.000029  0.581551  1
  H  H219  1  0.589639  0.278022  0.522250  1
  H  H220  1  0.828848  -0.000029  0.581551  1
  H  H221  1  0.256305  0.278022  0.522250  1
  H  H222  1  0.535608  0.148679  0.553196  1
  H  H223  1  0.922972  0.278022  0.522250  1
  H  H224  1  0.202275  0.148679  0.553196  1
  H  H225  1  0.868941  0.148679  0.553196  1
  H  H226  1  0.617691  0.495407  0.528916  1
  H  H227  1  0.284358  0.495407  0.528916  1
  H  H228  1  0.562494  0.371968  0.559594  1
  H  H229  1  0.951024  0.495407  0.528916  1
  H  H230  1  0.229160  0.371968  0.559594  1
  H  H231  1  0.598106  0.217816  0.589560  1
  H  H232  1  0.895827  0.371968  0.559594  1
  H  H233  1  0.264773  0.217816  0.589560  1
  H  H234  1  0.931439  0.217816  0.589560  1
  H  H235  1  0.479220  0.712545  0.535611  1
  H  H236  1  1.145887  0.712545  0.535611  1
  H  H237  1  0.427467  0.585254  0.566873  1
  H  H238  1  0.812554  0.712545  0.535611  1
  H  H239  1  1.094134  0.585254  0.566873  1
  H  H240  1  0.466836  0.424102  0.596973  1
  H  H241  1  0.760800  0.585254  0.566873  1
  H  H242  1  1.133503  0.424102  0.596973  1
  H  H243  1  0.800169  0.424102  0.596973  1
  H  H244  1  0.460293  0.794519  0.574119  1
  H  H245  1  1.126959  0.794519  0.574119  1
  H  H246  1  0.499567  0.633634  0.604323  1
  H  H247  1  0.793626  0.794519  0.574119  1
  H  H248  1  0.166233  0.633634  0.604323  1
  H  H249  1  0.508955  0.926899  0.543157  1
  H  H250  1  0.832900  0.633634  0.604323  1
  H  H251  1  0.175622  0.926899  0.543157  1
  H  H252  1  0.842288  0.926899  0.543157  1
  H  H253  1  0.328848  -0.000029  0.581551  1
  H  H254  1  0.995515  -0.000029  0.581551  1
  H  H255  1  0.422972  0.278022  0.522250  1
  H  H256  1  0.662181  -0.000029  0.581551  1
  H  H257  1  1.089639  0.278022  0.522250  1
  H  H258  1  0.368941  0.148679  0.553196  1
  H  H259  1  0.756305  0.278022  0.522250  1
  H  H260  1  1.035608  0.148679  0.553196  1
  H  H261  1  0.702275  0.148679  0.553196  1
  H  H262  1  0.431439  0.217816  0.589560  1
  H  H263  1  1.098106  0.217816  0.589560  1
  H  H264  1  0.451024  0.495407  0.528916  1
  H  H265  1  0.764773  0.217816  0.589560  1
  H  H266  1  1.117691  0.495407  0.528916  1
  H  H267  1  0.395827  0.371968  0.559594  1
  H  H268  1  0.784358  0.495407  0.528916  1
  H  H269  1  1.062494  0.371968  0.559594  1
  H  H270  1  0.729160  0.371968  0.559594  1
  H  H271  1  0.312554  0.712545  0.535611  1
  H  H272  1  0.979220  0.712545  0.535611  1
  H  H273  1  0.260800  0.585254  0.566873  1
  H  H274  1  0.645887  0.712545  0.535611  1
  H  H275  1  0.927467  0.585254  0.566873  1
  H  H276  1  0.300169  0.424102  0.596973  1
  H  H277  1  0.594134  0.585254  0.566873  1
  H  H278  1  0.966836  0.424102  0.596973  1
  H  H279  1  0.633503  0.424102  0.596973  1
  H  H280  1  0.342288  0.926899  0.543157  1
  H  H281  1  1.008955  0.926899  0.543157  1
  H  H282  1  0.293626  0.794519  0.574119  1
  H  H283  1  0.675622  0.926899  0.543157  1
  H  H284  1  0.960293  0.794519  0.574119  1
  H  H285  1  0.332900  0.633634  0.604323  1
  H  H286  1  0.626959  0.794519  0.574119  1
  H  H287  1  0.999567  0.633634  0.604323  1
  H  H288  1  0.666233  0.633634  0.604323  1
  H  H289  1  0.424381  0.592674  0.673781  1
  H  H290  1  1.091048  0.592674  0.673781  1
  H  H291  1  0.531589  0.845921  0.611704  1
  H  H292  1  0.757715  0.592674  0.673781  1
  H  H293  1  0.198256  0.845921  0.611704  1
  H  H294  1  0.477447  0.721297  0.642487  1
  H  H295  1  0.864923  0.845921  0.611704  1
  H  H296  1  1.144114  0.721297  0.642487  1
  H  H297  1  0.810781  0.721297  0.642487  1
  H  H298  1  0.557414  0.069876  0.617951  1
  H  H299  1  0.224080  0.069876  0.617951  1
  H  H300  1  0.503775  0.941099  0.648766  1
  H  H301  1  0.890747  0.069876  0.617951  1
  H  H302  1  0.170441  0.941099  0.648766  1
  H  H303  1  0.451608  0.813004  0.680069  1
  H  H304  1  0.837108  0.941099  0.648766  1
  H  H305  1  1.118274  0.813004  0.680069  1
  H  H306  1  0.784941  0.813004  0.680069  1
  H  H307  1  0.417637  0.291841  0.627715  1
  H  H308  1  1.084304  0.291841  0.627715  1
  H  H309  1  0.366684  0.156159  0.656201  1
  H  H310  1  0.750970  0.291841  0.627715  1
  H  H311  1  1.033351  0.156159  0.656201  1
  H  H312  1  0.315394  0.027137  0.687031  1
  H  H313  1  0.700017  0.156159  0.656201  1
  H  H314  1  0.982060  0.027137  0.687031  1
  H  H315  1  0.648727  0.027137  0.687031  1
  H  H316  1  0.394673  0.377007  0.665799  1
  H  H317  1  1.061340  0.377007  0.665799  1
  H  H318  1  0.347417  0.239392  0.694746  1
  H  H319  1  0.728007  0.377007  0.665799  1
  H  H320  1  1.014084  0.239392  0.694746  1
  H  H321  1  0.447303  0.506914  0.635289  1
  H  H322  1  0.680750  0.239392  0.694746  1
  H  H323  1  1.113969  0.506914  0.635289  1
  H  H324  1  0.780636  0.506914  0.635289  1
  H  H325  1  0.257715  0.592674  0.673781  1
  H  H326  1  0.924381  0.592674  0.673781  1
  H  H327  1  0.364923  0.845921  0.611704  1
  H  H328  1  0.591048  0.592674  0.673781  1
  H  H329  1  1.031589  0.845921  0.611704  1
  H  H330  1  0.310781  0.721297  0.642487  1
  H  H331  1  0.698256  0.845921  0.611704  1
  H  H332  1  0.977447  0.721297  0.642487  1
  H  H333  1  0.644114  0.721297  0.642487  1
  H  H334  1  0.284941  0.813004  0.680069  1
  H  H335  1  0.951608  0.813004  0.680069  1
  H  H336  1  0.390747  0.069876  0.617951  1
  H  H337  1  0.618274  0.813004  0.680069  1
  H  H338  1  1.057414  0.069876  0.617951  1
  H  H339  1  0.337108  0.941099  0.648766  1
  H  H340  1  0.724080  0.069876  0.617951  1
  H  H341  1  1.003775  0.941099  0.648766  1
  H  H342  1  0.670441  0.941099  0.648766  1
  H  H343  1  0.250970  0.291841  0.627715  1
  H  H344  1  0.917637  0.291841  0.627715  1
  H  H345  1  0.200017  0.156159  0.656201  1
  H  H346  1  0.584304  0.291841  0.627715  1
  H  H347  1  0.866684  0.156159  0.656201  1
  H  H348  1  1.148727  0.027137  0.687031  1
  H  H349  1  0.533351  0.156159  0.656201  1
  H  H350  1  0.815394  0.027137  0.687031  1
  H  H351  1  0.482060  0.027137  0.687031  1
  H  H352  1  0.280636  0.506914  0.635289  1
  H  H353  1  0.947303  0.506914  0.635289  1
  H  H354  1  0.228007  0.377007  0.665799  1
  H  H355  1  0.613969  0.506914  0.635289  1
  H  H356  1  0.894673  0.377007  0.665799  1
  H  H357  1  0.180750  0.239392  0.694746  1
  H  H358  1  0.561340  0.377007  0.665799  1
  H  H359  1  0.847417  0.239392  0.694746  1
  H  H360  1  0.514084  0.239392  0.694746  1
