# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.80775334
_cell_length_b   14.94032124
_cell_length_c   46.52554586
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.33364226
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H360
_cell_volume   6121.91343873
_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  0.441181  0.836022  0.297618  1
  H  H2  1  0.127386  0.835888  0.282803  1
  H  H3  1  0.284283  0.669289  0.290211  1
  H  H4  1  0.441181  0.502689  0.297618  1
  H  H5  1  0.784283  0.835955  0.290211  1
  H  H6  1  0.941181  0.669355  0.297618  1
  H  H7  1  0.127386  0.502555  0.282803  1
  H  H8  1  0.284283  0.335955  0.290211  1
  H  H9  1  0.441181  0.169355  0.297618  1
  H  H10  1  0.627386  0.669222  0.282803  1
  H  H11  1  0.784283  0.502622  0.290211  1
  H  H12  1  0.941181  0.336022  0.297618  1
  H  H13  1  0.127386  0.169222  0.282803  1
  H  H14  1  0.284283  0.002622  0.290211  1
  H  H15  1  0.627386  0.335888  0.282803  1
  H  H16  1  0.784283  0.169289  0.290211  1
  H  H17  1  0.941181  0.002689  0.297618  1
  H  H18  1  0.627386  0.002555  0.282803  1
  H  H19  1  0.414811  0.836203  0.317613  1
  H  H20  1  0.101016  0.836069  0.302798  1
  H  H21  1  0.257913  0.669469  0.310206  1
  H  H22  1  0.414811  0.502870  0.317613  1
  H  H23  1  0.757913  0.836136  0.310206  1
  H  H24  1  0.914811  0.669536  0.317613  1
  H  H25  1  0.101016  0.502736  0.302798  1
  H  H26  1  0.257913  0.336136  0.310206  1
  H  H27  1  0.414811  0.169536  0.317613  1
  H  H28  1  0.601016  0.669402  0.302798  1
  H  H29  1  0.757913  0.502803  0.310206  1
  H  H30  1  0.914811  0.336203  0.317613  1
  H  H31  1  0.101016  0.169402  0.302798  1
  H  H32  1  0.257913  0.002803  0.310206  1
  H  H33  1  0.601016  0.336069  0.302798  1
  H  H34  1  0.757913  0.169469  0.310206  1
  H  H35  1  0.914811  0.002870  0.317613  1
  H  H36  1  0.601016  0.002736  0.302798  1
  H  H37  1  0.383610  0.836417  0.341271  1
  H  H38  1  0.069815  0.836283  0.326456  1
  H  H39  1  0.226713  0.669683  0.333863  1
  H  H40  1  0.383610  0.503084  0.341271  1
  H  H41  1  0.726713  0.836350  0.333863  1
  H  H42  1  0.883610  0.669750  0.341271  1
  H  H43  1  0.069815  0.502950  0.326456  1
  H  H44  1  0.226713  0.336350  0.333863  1
  H  H45  1  0.383610  0.169750  0.341271  1
  H  H46  1  0.569815  0.669616  0.326456  1
  H  H47  1  0.726713  0.503017  0.333863  1
  H  H48  1  0.883610  0.336417  0.341271  1
  H  H49  1  0.069815  0.169616  0.326456  1
  H  H50  1  0.226713  0.003017  0.333863  1
  H  H51  1  0.569815  0.336283  0.326456  1
  H  H52  1  0.726713  0.169683  0.333863  1
  H  H53  1  0.883610  0.003084  0.341271  1
  H  H54  1  0.569815  0.002950  0.326456  1
  H  H55  1  0.355000  0.836613  0.362964  1
  H  H56  1  0.041205  0.836479  0.348149  1
  H  H57  1  0.198103  0.669879  0.355557  1
  H  H58  1  0.355000  0.503280  0.362964  1
  H  H59  1  0.698103  0.836546  0.355557  1
  H  H60  1  0.855000  0.669946  0.362964  1
  H  H61  1  0.041205  0.503146  0.348149  1
  H  H62  1  0.198103  0.336546  0.355557  1
  H  H63  1  0.355000  0.169946  0.362964  1
  H  H64  1  0.541205  0.669812  0.348149  1
  H  H65  1  0.698103  0.503213  0.355557  1
  H  H66  1  0.855000  0.336613  0.362964  1
  H  H67  1  0.041205  0.169812  0.348149  1
  H  H68  1  0.198103  0.003213  0.355557  1
  H  H69  1  0.541205  0.336479  0.348149  1
  H  H70  1  0.698103  0.169879  0.355557  1
  H  H71  1  0.855000  0.003280  0.362964  1
  H  H72  1  0.541205  0.003146  0.348149  1
  H  H73  1  0.325323  0.836817  0.385467  1
  H  H74  1  0.011528  0.836683  0.370652  1
  H  H75  1  0.168426  0.670083  0.378059  1
  H  H76  1  0.325323  0.503483  0.385467  1
  H  H77  1  0.668426  0.836750  0.378059  1
  H  H78  1  0.825323  0.670150  0.385467  1
  H  H79  1  0.011528  0.503349  0.370652  1
  H  H80  1  0.168426  0.336750  0.378059  1
  H  H81  1  0.325323  0.170150  0.385467  1
  H  H82  1  0.511528  0.670016  0.370652  1
  H  H83  1  0.668426  0.503416  0.378059  1
  H  H84  1  0.825323  0.336817  0.385467  1
  H  H85  1  0.011528  0.170016  0.370652  1
  H  H86  1  0.168426  0.003416  0.378059  1
  H  H87  1  0.511528  0.336683  0.370652  1
  H  H88  1  0.668426  0.170083  0.378059  1
  H  H89  1  0.825323  0.003483  0.385467  1
  H  H90  1  0.511528  0.003349  0.370652  1
  H  H91  1  0.296160  0.837016  0.407579  1
  H  H92  1  0.982365  0.836883  0.392765  1
  H  H93  1  0.139262  0.670283  0.400172  1
  H  H94  1  0.296160  0.503683  0.407579  1
  H  H95  1  0.639262  0.836949  0.400172  1
  H  H96  1  0.796160  0.670350  0.407579  1
  H  H97  1  0.982365  0.503549  0.392765  1
  H  H98  1  0.139262  0.336949  0.400172  1
  H  H99  1  0.296160  0.170350  0.407579  1
  H  H100  1  0.482365  0.670216  0.392765  1
  H  H101  1  0.639262  0.503616  0.400172  1
  H  H102  1  0.796160  0.337016  0.407579  1
  H  H103  1  0.982365  0.170216  0.392765  1
  H  H104  1  0.139262  0.003616  0.400172  1
  H  H105  1  0.482365  0.336883  0.392765  1
  H  H106  1  0.639262  0.170283  0.400172  1
  H  H107  1  0.796160  0.003683  0.407579  1
  H  H108  1  0.482365  0.003549  0.392765  1
  H  H109  1  0.266763  0.837218  0.429870  1
  H  H110  1  0.952968  0.837084  0.415055  1
  H  H111  1  0.109865  0.670484  0.422462  1
  H  H112  1  0.266763  0.503885  0.429870  1
  H  H113  1  0.609865  0.837151  0.422462  1
  H  H114  1  0.766763  0.670551  0.429870  1
  H  H115  1  0.952968  0.503751  0.415055  1
  H  H116  1  0.109865  0.337151  0.422462  1
  H  H117  1  0.266763  0.170551  0.429870  1
  H  H118  1  0.452968  0.670417  0.415055  1
  H  H119  1  0.609865  0.503818  0.422462  1
  H  H120  1  0.766763  0.337218  0.429870  1
  H  H121  1  0.952968  0.170417  0.415055  1
  H  H122  1  0.109865  0.003818  0.422462  1
  H  H123  1  0.452968  0.337084  0.415055  1
  H  H124  1  0.609865  0.170484  0.422462  1
  H  H125  1  0.766763  0.003885  0.429870  1
  H  H126  1  0.452968  0.003751  0.415055  1
  H  H127  1  0.237476  0.837419  0.452076  1
  H  H128  1  0.923681  0.837285  0.437261  1
  H  H129  1  0.080578  0.670685  0.444669  1
  H  H130  1  0.237476  0.504085  0.452076  1
  H  H131  1  0.580578  0.837352  0.444669  1
  H  H132  1  0.737476  0.670752  0.452076  1
  H  H133  1  0.923681  0.503952  0.437261  1
  H  H134  1  0.080578  0.337352  0.444669  1
  H  H135  1  0.237476  0.170752  0.452076  1
  H  H136  1  0.423681  0.670618  0.437261  1
  H  H137  1  0.580578  0.504019  0.444669  1
  H  H138  1  0.737476  0.337419  0.452076  1
  H  H139  1  0.923681  0.170618  0.437261  1
  H  H140  1  0.080578  0.004019  0.444669  1
  H  H141  1  0.423681  0.337285  0.437261  1
  H  H142  1  0.580578  0.170685  0.444669  1
  H  H143  1  0.737476  0.004085  0.452076  1
  H  H144  1  0.423681  0.003952  0.437261  1
  H  H145  1  0.208137  0.837620  0.474322  1
  H  H146  1  0.894342  0.837486  0.459507  1
  H  H147  1  0.051240  0.670886  0.466915  1
  H  H148  1  0.208137  0.504287  0.474322  1
  H  H149  1  0.551240  0.837553  0.466915  1
  H  H150  1  0.708137  0.670953  0.474322  1
  H  H151  1  0.894342  0.504153  0.459507  1
  H  H152  1  0.051240  0.337553  0.466915  1
  H  H153  1  0.208137  0.170953  0.474322  1
  H  H154  1  0.394342  0.670819  0.459507  1
  H  H155  1  0.551240  0.504220  0.466915  1
  H  H156  1  0.708137  0.337620  0.474322  1
  H  H157  1  0.894342  0.170819  0.459507  1
  H  H158  1  0.051240  0.004220  0.466915  1
  H  H159  1  0.394342  0.337486  0.459507  1
  H  H160  1  0.551240  0.170886  0.466915  1
  H  H161  1  0.708137  0.004287  0.474322  1
  H  H162  1  0.394342  0.004153  0.459507  1
  H  H163  1  0.178825  0.837821  0.496548  1
  H  H164  1  0.865029  0.837687  0.481734  1
  H  H165  1  0.021927  0.671087  0.489141  1
  H  H166  1  0.178825  0.504488  0.496548  1
  H  H167  1  0.521927  0.837754  0.489141  1
  H  H168  1  0.678825  0.671154  0.496548  1
  H  H169  1  0.865029  0.504354  0.481734  1
  H  H170  1  0.021927  0.337754  0.489141  1
  H  H171  1  0.178825  0.171154  0.496548  1
  H  H172  1  0.365029  0.671020  0.481734  1
  H  H173  1  0.521927  0.504421  0.489141  1
  H  H174  1  0.678825  0.337821  0.496548  1
  H  H175  1  0.865029  0.171020  0.481734  1
  H  H176  1  0.021927  0.004421  0.489141  1
  H  H177  1  0.365029  0.337687  0.481734  1
  H  H178  1  0.521927  0.171087  0.489141  1
  H  H179  1  0.678825  0.004488  0.496548  1
  H  H180  1  0.365029  0.004354  0.481734  1
  H  H181  1  0.149496  0.838022  0.518787  1
  H  H182  1  0.835701  0.837888  0.503972  1
  H  H183  1  0.992598  0.671288  0.511379  1
  H  H184  1  0.149496  0.504689  0.518787  1
  H  H185  1  0.492598  0.837955  0.511379  1
  H  H186  1  0.649496  0.671355  0.518787  1
  H  H187  1  0.835701  0.504555  0.503972  1
  H  H188  1  0.992598  0.337955  0.511379  1
  H  H189  1  0.149496  0.171355  0.518787  1
  H  H190  1  0.335701  0.671221  0.503972  1
  H  H191  1  0.492598  0.504622  0.511379  1
  H  H192  1  0.649496  0.338022  0.518787  1
  H  H193  1  0.835701  0.171221  0.503972  1
  H  H194  1  0.992598  0.004622  0.511379  1
  H  H195  1  0.335701  0.337888  0.503972  1
  H  H196  1  0.492598  0.171288  0.511379  1
  H  H197  1  0.649496  0.004689  0.518787  1
  H  H198  1  0.335701  0.004555  0.503972  1
  H  H199  1  0.120183  0.838223  0.541013  1
  H  H200  1  0.806388  0.838089  0.526198  1
  H  H201  1  0.963285  0.671489  0.533606  1
  H  H202  1  0.120183  0.504890  0.541013  1
  H  H203  1  0.463285  0.838156  0.533606  1
  H  H204  1  0.620183  0.671556  0.541013  1
  H  H205  1  0.806388  0.504756  0.526198  1
  H  H206  1  0.963285  0.338156  0.533606  1
  H  H207  1  0.120183  0.171556  0.541013  1
  H  H208  1  0.306388  0.671422  0.526198  1
  H  H209  1  0.463285  0.504823  0.533606  1
  H  H210  1  0.620183  0.338223  0.541013  1
  H  H211  1  0.806388  0.171422  0.526198  1
  H  H212  1  0.963285  0.004823  0.533606  1
  H  H213  1  0.306388  0.338089  0.526198  1
  H  H214  1  0.463285  0.171489  0.533606  1
  H  H215  1  0.620183  0.004890  0.541013  1
  H  H216  1  0.306388  0.004756  0.526198  1
  H  H217  1  0.090844  0.838424  0.563259  1
  H  H218  1  0.777049  0.838290  0.548444  1
  H  H219  1  0.933947  0.671691  0.555852  1
  H  H220  1  0.090844  0.505091  0.563259  1
  H  H221  1  0.433947  0.838357  0.555852  1
  H  H222  1  0.590844  0.671758  0.563259  1
  H  H223  1  0.777049  0.504957  0.548444  1
  H  H224  1  0.933947  0.338357  0.555852  1
  H  H225  1  0.090844  0.171758  0.563259  1
  H  H226  1  0.277049  0.671624  0.548444  1
  H  H227  1  0.433947  0.505024  0.555852  1
  H  H228  1  0.590844  0.338424  0.563259  1
  H  H229  1  0.777049  0.171624  0.548444  1
  H  H230  1  0.933947  0.005024  0.555852  1
  H  H231  1  0.277049  0.338290  0.548444  1
  H  H232  1  0.433947  0.171691  0.555852  1
  H  H233  1  0.590844  0.005091  0.563259  1
  H  H234  1  0.277049  0.004957  0.548444  1
  H  H235  1  0.061557  0.838625  0.585466  1
  H  H236  1  0.747762  0.838491  0.570651  1
  H  H237  1  0.904660  0.671891  0.578058  1
  H  H238  1  0.061557  0.505292  0.585466  1
  H  H239  1  0.404660  0.838558  0.578058  1
  H  H240  1  0.561557  0.671958  0.585466  1
  H  H241  1  0.747762  0.505158  0.570651  1
  H  H242  1  0.904660  0.338558  0.578058  1
  H  H243  1  0.061557  0.171958  0.585466  1
  H  H244  1  0.247762  0.671824  0.570651  1
  H  H245  1  0.404660  0.505225  0.578058  1
  H  H246  1  0.561557  0.338625  0.585466  1
  H  H247  1  0.747762  0.171824  0.570651  1
  H  H248  1  0.904660  0.005225  0.578058  1
  H  H249  1  0.247762  0.338491  0.570651  1
  H  H250  1  0.404660  0.171891  0.578058  1
  H  H251  1  0.561557  0.005292  0.585466  1
  H  H252  1  0.247762  0.005158  0.570651  1
  H  H253  1  0.032160  0.838827  0.607756  1
  H  H254  1  0.718365  0.838693  0.592941  1
  H  H255  1  0.875263  0.672093  0.600348  1
  H  H256  1  0.032160  0.505493  0.607756  1
  H  H257  1  0.375263  0.838760  0.600348  1
  H  H258  1  0.532160  0.672160  0.607756  1
  H  H259  1  0.718365  0.505359  0.592941  1
  H  H260  1  0.875263  0.338760  0.600348  1
  H  H261  1  0.032160  0.172160  0.607756  1
  H  H262  1  0.218365  0.672026  0.592941  1
  H  H263  1  0.375263  0.505426  0.600348  1
  H  H264  1  0.532160  0.338827  0.607756  1
  H  H265  1  0.718365  0.172026  0.592941  1
  H  H266  1  0.875263  0.005426  0.600348  1
  H  H267  1  0.218365  0.338693  0.592941  1
  H  H268  1  0.375263  0.172093  0.600348  1
  H  H269  1  0.532160  0.005493  0.607756  1
  H  H270  1  0.218365  0.005359  0.592941  1
  H  H271  1  0.002997  0.839026  0.629869  1
  H  H272  1  0.689202  0.838893  0.615054  1
  H  H273  1  0.846100  0.672293  0.622461  1
  H  H274  1  0.002997  0.505693  0.629869  1
  H  H275  1  0.346100  0.838960  0.622461  1
  H  H276  1  0.502997  0.672360  0.629869  1
  H  H277  1  0.689202  0.505559  0.615054  1
  H  H278  1  0.846100  0.338960  0.622461  1
  H  H279  1  0.002997  0.172360  0.629869  1
  H  H280  1  0.189202  0.672226  0.615054  1
  H  H281  1  0.346100  0.505626  0.622461  1
  H  H282  1  0.502997  0.339026  0.629869  1
  H  H283  1  0.689202  0.172226  0.615054  1
  H  H284  1  0.846100  0.005626  0.622461  1
  H  H285  1  0.189202  0.338893  0.615054  1
  H  H286  1  0.346100  0.172293  0.622461  1
  H  H287  1  0.502997  0.005693  0.629869  1
  H  H288  1  0.189202  0.005559  0.615054  1
  H  H289  1  0.973320  0.839230  0.652371  1
  H  H290  1  0.659525  0.839096  0.637556  1
  H  H291  1  0.816423  0.672496  0.644964  1
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  H  H296  1  0.816423  0.339163  0.644964  1
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  H  H301  1  0.659525  0.172429  0.637556  1
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  H  H307  1  0.944710  0.839426  0.674065  1
  H  H308  1  0.630915  0.839292  0.659250  1
  H  H309  1  0.787812  0.672692  0.666657  1
  H  H310  1  0.944710  0.506093  0.674065  1
  H  H311  1  0.287812  0.839359  0.666657  1
  H  H312  1  0.444710  0.672759  0.674065  1
  H  H313  1  0.630915  0.505959  0.659250  1
  H  H314  1  0.787812  0.339359  0.666657  1
  H  H315  1  0.944710  0.172759  0.674065  1
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  H  H318  1  0.444710  0.339426  0.674065  1
  H  H319  1  0.630915  0.172625  0.659250  1
  H  H320  1  0.787812  0.006026  0.666657  1
  H  H321  1  0.130915  0.339292  0.659250  1
  H  H322  1  0.287812  0.172692  0.666657  1
  H  H323  1  0.444710  0.006093  0.674065  1
  H  H324  1  0.130915  0.005959  0.659250  1
  H  H325  1  0.913509  0.839640  0.697722  1
  H  H326  1  0.599714  0.839506  0.682908  1
  H  H327  1  0.756612  0.672906  0.690315  1
  H  H328  1  0.913509  0.506307  0.697722  1
  H  H329  1  0.256612  0.839573  0.690315  1
  H  H330  1  0.413509  0.672973  0.697722  1
  H  H331  1  0.599714  0.506173  0.682908  1
  H  H332  1  0.756612  0.339573  0.690315  1
  H  H333  1  0.913509  0.172973  0.697722  1
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  H  H335  1  0.256612  0.506240  0.690315  1
  H  H336  1  0.413509  0.339640  0.697722  1
  H  H337  1  0.599714  0.172839  0.682908  1
  H  H338  1  0.756612  0.006240  0.690315  1
  H  H339  1  0.099714  0.339506  0.682908  1
  H  H340  1  0.256612  0.172906  0.690315  1
  H  H341  1  0.413509  0.006307  0.697722  1
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  H  H343  1  0.887140  0.839821  0.717717  1
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  H  H345  1  0.730242  0.673087  0.710310  1
  H  H346  1  0.887140  0.506488  0.717717  1
  H  H347  1  0.230242  0.839754  0.710310  1
  H  H348  1  0.387140  0.673154  0.717717  1
  H  H349  1  0.573345  0.506354  0.702902  1
  H  H350  1  0.730242  0.339754  0.710310  1
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  H  H358  1  0.230242  0.173087  0.710310  1
  H  H359  1  0.387140  0.006488  0.717717  1
  H  H360  1  0.073345  0.006354  0.702902  1
