# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.22433284
_cell_length_b   8.82269124
_cell_length_c   46.53037002
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.02850446
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H360
_cell_volume   6121.89411472
_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  0.496882  0.051170  0.295149  1
  H  H2  1  0.330294  0.041512  0.287742  1
  H  H3  1  0.163470  0.060828  0.302556  1
  H  H4  1  0.163549  0.717837  0.295149  1
  H  H5  1  0.996882  0.051170  0.295149  1
  H  H6  1  0.996960  0.708178  0.287742  1
  H  H7  1  0.830294  0.041512  0.287742  1
  H  H8  1  0.830137  0.727495  0.302556  1
  H  H9  1  0.830215  0.384503  0.295149  1
  H  H10  1  0.663706  0.031853  0.280334  1
  H  H11  1  0.663549  0.717837  0.295149  1
  H  H12  1  0.663627  0.374845  0.287742  1
  H  H13  1  0.496960  0.708178  0.287742  1
  H  H14  1  0.497039  0.365187  0.280334  1
  H  H15  1  0.330372  0.698520  0.280334  1
  H  H16  1  0.330215  0.384503  0.295149  1
  H  H17  1  0.163627  0.374845  0.287742  1
  H  H18  1  0.997039  0.365187  0.280334  1
  H  H19  1  0.496670  0.077240  0.315144  1
  H  H20  1  0.330082  0.067582  0.307736  1
  H  H21  1  0.163258  0.086898  0.322551  1
  H  H22  1  0.163337  0.743907  0.315144  1
  H  H23  1  0.996670  0.077240  0.315144  1
  H  H24  1  0.996749  0.734249  0.307736  1
  H  H25  1  0.830082  0.067582  0.307736  1
  H  H26  1  0.829925  0.753565  0.322551  1
  H  H27  1  0.830003  0.410573  0.315144  1
  H  H28  1  0.663494  0.057924  0.300329  1
  H  H29  1  0.663337  0.743907  0.315144  1
  H  H30  1  0.663415  0.400915  0.307736  1
  H  H31  1  0.496749  0.734249  0.307736  1
  H  H32  1  0.496827  0.391257  0.300329  1
  H  H33  1  0.330160  0.724590  0.300329  1
  H  H34  1  0.330003  0.410573  0.315144  1
  H  H35  1  0.163415  0.400915  0.307736  1
  H  H36  1  0.996827  0.391257  0.300329  1
  H  H37  1  0.496419  0.108086  0.338801  1
  H  H38  1  0.329831  0.098428  0.331394  1
  H  H39  1  0.163008  0.117744  0.346209  1
  H  H40  1  0.163086  0.774753  0.338801  1
  H  H41  1  0.996419  0.108086  0.338801  1
  H  H42  1  0.996498  0.765095  0.331394  1
  H  H43  1  0.829831  0.098428  0.331394  1
  H  H44  1  0.829674  0.784411  0.346209  1
  H  H45  1  0.829753  0.441419  0.338801  1
  H  H46  1  0.663243  0.088770  0.323987  1
  H  H47  1  0.663086  0.774753  0.338801  1
  H  H48  1  0.663165  0.431761  0.331394  1
  H  H49  1  0.496498  0.765095  0.331394  1
  H  H50  1  0.496576  0.422103  0.323987  1
  H  H51  1  0.329910  0.755436  0.323987  1
  H  H52  1  0.329753  0.441419  0.338801  1
  H  H53  1  0.163165  0.431761  0.331394  1
  H  H54  1  0.996576  0.422103  0.323987  1
  H  H55  1  0.496190  0.136371  0.360495  1
  H  H56  1  0.329601  0.126713  0.353087  1
  H  H57  1  0.162778  0.146030  0.367902  1
  H  H58  1  0.162856  0.803038  0.360495  1
  H  H59  1  0.996190  0.136371  0.360495  1
  H  H60  1  0.996268  0.793380  0.353087  1
  H  H61  1  0.829601  0.126713  0.353087  1
  H  H62  1  0.829444  0.812696  0.367902  1
  H  H63  1  0.829523  0.469705  0.360495  1
  H  H64  1  0.663013  0.117055  0.345680  1
  H  H65  1  0.662856  0.803038  0.360495  1
  H  H66  1  0.662935  0.460047  0.353087  1
  H  H67  1  0.496268  0.793380  0.353087  1
  H  H68  1  0.496347  0.450388  0.345680  1
  H  H69  1  0.329680  0.783722  0.345680  1
  H  H70  1  0.329523  0.469705  0.360495  1
  H  H71  1  0.162935  0.460047  0.353087  1
  H  H72  1  0.996347  0.450388  0.345680  1
  H  H73  1  0.495951  0.165711  0.382997  1
  H  H74  1  0.329363  0.156053  0.375590  1
  H  H75  1  0.162539  0.175370  0.390405  1
  H  H76  1  0.162618  0.832378  0.382997  1
  H  H77  1  0.995951  0.165711  0.382997  1
  H  H78  1  0.996030  0.822720  0.375590  1
  H  H79  1  0.829363  0.156053  0.375590  1
  H  H80  1  0.829206  0.842036  0.390405  1
  H  H81  1  0.829284  0.499045  0.382997  1
  H  H82  1  0.662775  0.146395  0.368183  1
  H  H83  1  0.662618  0.832378  0.382997  1
  H  H84  1  0.662696  0.489387  0.375590  1
  H  H85  1  0.496030  0.822720  0.375590  1
  H  H86  1  0.496108  0.479728  0.368183  1
  H  H87  1  0.329441  0.813062  0.368183  1
  H  H88  1  0.329284  0.499045  0.382997  1
  H  H89  1  0.162696  0.489387  0.375590  1
  H  H90  1  0.996108  0.479728  0.368183  1
  H  H91  1  0.495717  0.194543  0.405110  1
  H  H92  1  0.329129  0.184885  0.397703  1
  H  H93  1  0.162305  0.204202  0.412518  1
  H  H94  1  0.162383  0.861210  0.405110  1
  H  H95  1  0.995717  0.194543  0.405110  1
  H  H96  1  0.995795  0.851552  0.397703  1
  H  H97  1  0.829129  0.184885  0.397703  1
  H  H98  1  0.828972  0.870868  0.412518  1
  H  H99  1  0.829050  0.527877  0.405110  1
  H  H100  1  0.662540  0.175227  0.390295  1
  H  H101  1  0.662383  0.861210  0.405110  1
  H  H102  1  0.662462  0.518218  0.397703  1
  H  H103  1  0.495795  0.851552  0.397703  1
  H  H104  1  0.495874  0.508560  0.390295  1
  H  H105  1  0.329207  0.841894  0.390295  1
  H  H106  1  0.329050  0.527877  0.405110  1
  H  H107  1  0.162462  0.518218  0.397703  1
  H  H108  1  0.995874  0.508560  0.390295  1
  H  H109  1  0.495481  0.223606  0.427400  1
  H  H110  1  0.328892  0.213948  0.419993  1
  H  H111  1  0.162069  0.233264  0.434808  1
  H  H112  1  0.162147  0.890273  0.427400  1
  H  H113  1  0.995481  0.223606  0.427400  1
  H  H114  1  0.995559  0.880615  0.419993  1
  H  H115  1  0.828892  0.213948  0.419993  1
  H  H116  1  0.828735  0.899931  0.434808  1
  H  H117  1  0.828814  0.556940  0.427400  1
  H  H118  1  0.662304  0.204290  0.412586  1
  H  H119  1  0.662147  0.890273  0.427400  1
  H  H120  1  0.662226  0.547281  0.419993  1
  H  H121  1  0.495559  0.880615  0.419993  1
  H  H122  1  0.495638  0.537623  0.412586  1
  H  H123  1  0.328971  0.870957  0.412586  1
  H  H124  1  0.328814  0.556940  0.427400  1
  H  H125  1  0.162226  0.547281  0.419993  1
  H  H126  1  0.995638  0.537623  0.412586  1
  H  H127  1  0.495245  0.252561  0.449607  1
  H  H128  1  0.328657  0.242902  0.442200  1
  H  H129  1  0.161833  0.262219  0.457014  1
  H  H130  1  0.161912  0.919227  0.449607  1
  H  H131  1  0.995245  0.252561  0.449607  1
  H  H132  1  0.995324  0.909569  0.442200  1
  H  H133  1  0.828657  0.242902  0.442200  1
  H  H134  1  0.828500  0.928886  0.457014  1
  H  H135  1  0.828579  0.585894  0.449607  1
  H  H136  1  0.662069  0.233244  0.434792  1
  H  H137  1  0.661912  0.919227  0.449607  1
  H  H138  1  0.661990  0.576236  0.442200  1
  H  H139  1  0.495324  0.909569  0.442200  1
  H  H140  1  0.495402  0.566578  0.434792  1
  H  H141  1  0.328736  0.899911  0.434792  1
  H  H142  1  0.328579  0.585894  0.449607  1
  H  H143  1  0.161990  0.576236  0.442200  1
  H  H144  1  0.995402  0.566578  0.434792  1
  H  H145  1  0.495010  0.281566  0.471853  1
  H  H146  1  0.328421  0.271908  0.464446  1
  H  H147  1  0.161598  0.291224  0.479260  1
  H  H148  1  0.161676  0.948233  0.471853  1
  H  H149  1  0.995010  0.281566  0.471853  1
  H  H150  1  0.995088  0.938575  0.464446  1
  H  H151  1  0.828421  0.271908  0.464446  1
  H  H152  1  0.828264  0.957891  0.479260  1
  H  H153  1  0.828343  0.614899  0.471853  1
  H  H154  1  0.661833  0.262250  0.457038  1
  H  H155  1  0.661676  0.948233  0.471853  1
  H  H156  1  0.661755  0.605241  0.464446  1
  H  H157  1  0.495088  0.938575  0.464446  1
  H  H158  1  0.495167  0.595583  0.457038  1
  H  H159  1  0.328500  0.928916  0.457038  1
  H  H160  1  0.328343  0.614899  0.471853  1
  H  H161  1  0.161755  0.605241  0.464446  1
  H  H162  1  0.995167  0.595583  0.457038  1
  H  H163  1  0.494774  0.310546  0.494079  1
  H  H164  1  0.328186  0.300888  0.486672  1
  H  H165  1  0.161362  0.320204  0.501487  1
  H  H166  1  0.161441  0.977213  0.494079  1
  H  H167  1  0.994774  0.310546  0.494079  1
  H  H168  1  0.994853  0.967554  0.486672  1
  H  H169  1  0.828186  0.300888  0.486672  1
  H  H170  1  0.828029  0.986871  0.501487  1
  H  H171  1  0.828107  0.643879  0.494079  1
  H  H172  1  0.661598  0.291230  0.479264  1
  H  H173  1  0.661441  0.977213  0.494079  1
  H  H174  1  0.661519  0.634221  0.486672  1
  H  H175  1  0.494853  0.967554  0.486672  1
  H  H176  1  0.494931  0.624563  0.479264  1
  H  H177  1  0.328264  0.957896  0.479264  1
  H  H178  1  0.328107  0.643879  0.494079  1
  H  H179  1  0.161519  0.634221  0.486672  1
  H  H180  1  0.994931  0.624563  0.479264  1
  H  H181  1  0.494538  0.339541  0.516318  1
  H  H182  1  0.327950  0.329883  0.508910  1
  H  H183  1  0.161127  0.349200  0.523725  1
  H  H184  1  0.161205  0.006208  0.516318  1
  H  H185  1  0.994538  0.339541  0.516318  1
  H  H186  1  0.994617  0.996550  0.508910  1
  H  H187  1  0.827950  0.329883  0.508910  1
  H  H188  1  0.827793  0.015866  0.523725  1
  H  H189  1  0.827872  0.672875  0.516318  1
  H  H190  1  0.661362  0.320225  0.501503  1
  H  H191  1  0.661205  0.006208  0.516318  1
  H  H192  1  0.661284  0.663217  0.508910  1
  H  H193  1  0.494617  0.996550  0.508910  1
  H  H194  1  0.494695  0.653558  0.501503  1
  H  H195  1  0.328029  0.986892  0.501503  1
  H  H196  1  0.327872  0.672875  0.516318  1
  H  H197  1  0.161284  0.663217  0.508910  1
  H  H198  1  0.994695  0.653558  0.501503  1
  H  H199  1  0.494303  0.368521  0.538544  1
  H  H200  1  0.327715  0.358863  0.531136  1
  H  H201  1  0.160891  0.378180  0.545951  1
  H  H202  1  0.160970  0.035188  0.538544  1
  H  H203  1  0.994303  0.368521  0.538544  1
  H  H204  1  0.994381  0.025530  0.531136  1
  H  H205  1  0.827715  0.358863  0.531136  1
  H  H206  1  0.827558  0.044846  0.545951  1
  H  H207  1  0.827636  0.701855  0.538544  1
  H  H208  1  0.661127  0.349205  0.523729  1
  H  H209  1  0.660970  0.035188  0.538544  1
  H  H210  1  0.661048  0.692196  0.531136  1
  H  H211  1  0.494381  0.025530  0.531136  1
  H  H212  1  0.494460  0.682538  0.523729  1
  H  H213  1  0.327793  0.015872  0.523729  1
  H  H214  1  0.327636  0.701855  0.538544  1
  H  H215  1  0.161048  0.692196  0.531136  1
  H  H216  1  0.994460  0.682538  0.523729  1
  H  H217  1  0.494067  0.397527  0.560790  1
  H  H218  1  0.327479  0.387869  0.553382  1
  H  H219  1  0.160655  0.407185  0.568197  1
  H  H220  1  0.160734  0.064193  0.560790  1
  H  H221  1  0.994067  0.397527  0.560790  1
  H  H222  1  0.994146  0.054535  0.553382  1
  H  H223  1  0.827479  0.387869  0.553382  1
  H  H224  1  0.827322  0.073852  0.568197  1
  H  H225  1  0.827400  0.730860  0.560790  1
  H  H226  1  0.660891  0.378210  0.545975  1
  H  H227  1  0.660734  0.064193  0.560790  1
  H  H228  1  0.660812  0.721202  0.553382  1
  H  H229  1  0.494146  0.054535  0.553382  1
  H  H230  1  0.494224  0.711544  0.545975  1
  H  H231  1  0.327557  0.044877  0.545975  1
  H  H232  1  0.327400  0.730860  0.560790  1
  H  H233  1  0.160812  0.721202  0.553382  1
  H  H234  1  0.994224  0.711544  0.545975  1
  H  H235  1  0.493832  0.426481  0.582997  1
  H  H236  1  0.327244  0.416823  0.575589  1
  H  H237  1  0.160420  0.436139  0.590404  1
  H  H238  1  0.160498  0.093148  0.582997  1
  H  H239  1  0.993832  0.426481  0.582997  1
  H  H240  1  0.993910  0.083490  0.575589  1
  H  H241  1  0.827244  0.416823  0.575589  1
  H  H242  1  0.827087  0.102806  0.590404  1
  H  H243  1  0.827165  0.759814  0.582997  1
  H  H244  1  0.660655  0.407165  0.568182  1
  H  H245  1  0.660498  0.093148  0.582997  1
  H  H246  1  0.660577  0.750156  0.575589  1
  H  H247  1  0.493910  0.083490  0.575589  1
  H  H248  1  0.493989  0.740498  0.568182  1
  H  H249  1  0.327322  0.073831  0.568182  1
  H  H250  1  0.327165  0.759814  0.582997  1
  H  H251  1  0.160577  0.750156  0.575589  1
  H  H252  1  0.993989  0.740498  0.568182  1
  H  H253  1  0.493596  0.455544  0.605287  1
  H  H254  1  0.327007  0.445886  0.597879  1
  H  H255  1  0.160184  0.465202  0.612694  1
  H  H256  1  0.160262  0.122211  0.605287  1
  H  H257  1  0.993596  0.455544  0.605287  1
  H  H258  1  0.993674  0.112553  0.597879  1
  H  H259  1  0.827007  0.445886  0.597879  1
  H  H260  1  0.826850  0.131869  0.612694  1
  H  H261  1  0.826929  0.788877  0.605287  1
  H  H262  1  0.660419  0.436228  0.590472  1
  H  H263  1  0.660262  0.122211  0.605287  1
  H  H264  1  0.660341  0.779219  0.597879  1
  H  H265  1  0.493674  0.112553  0.597879  1
  H  H266  1  0.493753  0.769561  0.590472  1
  H  H267  1  0.327086  0.102894  0.590472  1
  H  H268  1  0.326929  0.788877  0.605287  1
  H  H269  1  0.160341  0.779219  0.597879  1
  H  H270  1  0.993753  0.769561  0.590472  1
  H  H271  1  0.493361  0.484376  0.627399  1
  H  H272  1  0.326773  0.474718  0.619992  1
  H  H273  1  0.159949  0.494034  0.634807  1
  H  H274  1  0.160028  0.151043  0.627399  1
  H  H275  1  0.993361  0.484376  0.627399  1
  H  H276  1  0.993440  0.141384  0.619992  1
  H  H277  1  0.826773  0.474718  0.619992  1
  H  H278  1  0.826616  0.160701  0.634807  1
  H  H279  1  0.826695  0.817709  0.627399  1
  H  H280  1  0.660185  0.465060  0.612585  1
  H  H281  1  0.660028  0.151043  0.627399  1
  H  H282  1  0.660106  0.808051  0.619992  1
  H  H283  1  0.493440  0.141384  0.619992  1
  H  H284  1  0.493518  0.798393  0.612585  1
  H  H285  1  0.326852  0.131726  0.612585  1
  H  H286  1  0.326695  0.817709  0.627399  1
  H  H287  1  0.160106  0.808051  0.619992  1
  H  H288  1  0.993518  0.798393  0.612585  1
  H  H289  1  0.493123  0.513716  0.649902  1
  H  H290  1  0.326535  0.504058  0.642495  1
  H  H291  1  0.159711  0.523374  0.657309  1
  H  H292  1  0.159790  0.180383  0.649902  1
  H  H293  1  0.993123  0.513716  0.649902  1
  H  H294  1  0.993201  0.170724  0.642495  1
  H  H295  1  0.826535  0.504058  0.642495  1
  H  H296  1  0.826378  0.190041  0.657309  1
  H  H297  1  0.826456  0.847049  0.649902  1
  H  H298  1  0.659947  0.494400  0.635087  1
  H  H299  1  0.659790  0.180383  0.649902  1
  H  H300  1  0.659868  0.837391  0.642495  1
  H  H301  1  0.493201  0.170724  0.642495  1
  H  H302  1  0.493280  0.827733  0.635087  1
  H  H303  1  0.326613  0.161066  0.635087  1
  H  H304  1  0.326456  0.847049  0.649902  1
  H  H305  1  0.159868  0.837391  0.642495  1
  H  H306  1  0.993280  0.827733  0.635087  1
  H  H307  1  0.492893  0.542001  0.671595  1
  H  H308  1  0.326305  0.532343  0.664188  1
  H  H309  1  0.159481  0.551659  0.679003  1
  H  H310  1  0.159560  0.208668  0.671595  1
  H  H311  1  0.992893  0.542001  0.671595  1
  H  H312  1  0.992971  0.199010  0.664188  1
  H  H313  1  0.826305  0.532343  0.664188  1
  H  H314  1  0.826148  0.218326  0.679003  1
  H  H315  1  0.826226  0.875335  0.671595  1
  H  H316  1  0.659717  0.522685  0.656781  1
  H  H317  1  0.659560  0.208668  0.671595  1
  H  H318  1  0.659638  0.865676  0.664188  1
  H  H319  1  0.492971  0.199010  0.664188  1
  H  H320  1  0.493050  0.856018  0.656781  1
  H  H321  1  0.326383  0.189352  0.656781  1
  H  H322  1  0.326226  0.875335  0.671595  1
  H  H323  1  0.159638  0.865676  0.664188  1
  H  H324  1  0.993050  0.856018  0.656781  1
  H  H325  1  0.492642  0.572847  0.695253  1
  H  H326  1  0.326054  0.563189  0.687846  1
  H  H327  1  0.159230  0.582505  0.702660  1
  H  H328  1  0.159309  0.239514  0.695253  1
  H  H329  1  0.992642  0.572847  0.695253  1
  H  H330  1  0.992721  0.229856  0.687846  1
  H  H331  1  0.826054  0.563189  0.687846  1
  H  H332  1  0.825897  0.249172  0.702660  1
  H  H333  1  0.825976  0.906181  0.695253  1
  H  H334  1  0.659466  0.553531  0.680438  1
  H  H335  1  0.659309  0.239514  0.695253  1
  H  H336  1  0.659387  0.896522  0.687846  1
  H  H337  1  0.492721  0.229856  0.687846  1
  H  H338  1  0.492799  0.886864  0.680438  1
  H  H339  1  0.326133  0.220198  0.680438  1
  H  H340  1  0.325976  0.906181  0.695253  1
  H  H341  1  0.159387  0.896522  0.687846  1
  H  H342  1  0.992799  0.886864  0.680438  1
  H  H343  1  0.492430  0.598918  0.715248  1
  H  H344  1  0.325842  0.589259  0.707840  1
  H  H345  1  0.159019  0.608576  0.722655  1
  H  H346  1  0.159097  0.265584  0.715248  1
  H  H347  1  0.992430  0.598918  0.715248  1
  H  H348  1  0.992509  0.255926  0.707840  1
  H  H349  1  0.825842  0.589259  0.707840  1
  H  H350  1  0.825685  0.275242  0.722655  1
  H  H351  1  0.825764  0.932251  0.715248  1
  H  H352  1  0.659254  0.579601  0.700433  1
  H  H353  1  0.659097  0.265584  0.715248  1
  H  H354  1  0.659176  0.922593  0.707840  1
  H  H355  1  0.492509  0.255926  0.707840  1
  H  H356  1  0.492587  0.912934  0.700433  1
  H  H357  1  0.325921  0.246268  0.700433  1
  H  H358  1  0.325764  0.932251  0.715248  1
  H  H359  1  0.159176  0.922593  0.707840  1
  H  H360  1  0.992587  0.912934  0.700433  1
