# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.80213056
_cell_length_b   13.80213055
_cell_length_c   19.51932090
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H431
_cell_volume   3718.40736109
_cell_formula_units_Z   215
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  0.154115  0.154115  0.154407  1
  H  H2  1  0.154115  0.154115  0.320296  1
  H  H3  1  0.154115  0.154115  0.486933  1
  H  H4  1  0.154115  0.154115  0.653571  1
  H  H5  1  0.154115  0.154115  0.819460  1
  H  H6  1  0.154115  0.317418  -0.013067  1
  H  H7  1  0.154115  0.320284  0.153332  1
  H  H8  1  0.154115  0.320869  0.320303  1
  H  H9  1  0.154115  0.320802  0.486933  1
  H  H10  1  0.154115  0.320869  0.653564  1
  H  H11  1  0.154115  0.320284  0.820535  1
  H  H12  1  0.154115  0.486595  -0.013067  1
  H  H13  1  0.154115  0.487179  0.153415  1
  H  H14  1  0.154115  0.487422  0.320177  1
  H  H15  1  0.154115  0.487475  0.486933  1
  H  H16  1  0.154115  0.487422  0.653690  1
  H  H17  1  0.154115  0.487179  0.820452  1
  H  H18  1  0.154115  0.654115  -0.013067  1
  H  H19  1  0.154115  0.654115  0.153496  1
  H  H20  1  0.154115  0.654115  0.320182  1
  H  H21  1  0.154115  0.654115  0.486933  1
  H  H22  1  0.154115  0.654115  0.653685  1
  H  H23  1  0.154115  0.654115  0.820371  1
  H  H24  1  0.154115  0.821635  -0.013067  1
  H  H25  1  0.154115  0.821050  0.153415  1
  H  H26  1  0.154115  0.820808  0.320177  1
  H  H27  1  0.154115  0.820754  0.486933  1
  H  H28  1  0.154115  0.820808  0.653690  1
  H  H29  1  0.154115  0.821050  0.820452  1
  H  H30  1  0.154115  0.990811  -0.013067  1
  H  H31  1  0.154115  0.987945  0.153332  1
  H  H32  1  0.154115  0.987361  0.320303  1
  H  H33  1  0.154115  0.987427  0.486933  1
  H  H34  1  0.154115  0.987361  0.653564  1
  H  H35  1  0.154115  0.987945  0.820535  1
  H  H36  1  0.317418  0.154115  -0.013067  1
  H  H37  1  0.320284  0.154115  0.153332  1
  H  H38  1  0.320869  0.154115  0.320303  1
  H  H39  1  0.320802  0.154115  0.486933  1
  H  H40  1  0.320869  0.154115  0.653564  1
  H  H41  1  0.320284  0.154115  0.820535  1
  H  H42  1  0.321595  0.321595  -0.013067  1
  H  H43  1  0.320307  0.320307  0.153105  1
  H  H44  1  0.320834  0.320834  0.320287  1
  H  H45  1  0.320797  0.320797  0.486933  1
  H  H46  1  0.320834  0.320834  0.653580  1
  H  H47  1  0.320307  0.320307  0.820762  1
  H  H48  1  0.320950  0.487846  -0.013067  1
  H  H49  1  0.320686  0.487276  0.153484  1
  H  H50  1  0.320748  0.487417  0.320184  1
  H  H51  1  0.320783  0.487470  0.486933  1
  H  H52  1  0.320748  0.487417  0.653683  1
  H  H53  1  0.320686  0.487276  0.820383  1
  H  H54  1  0.320760  0.654115  -0.013067  1
  H  H55  1  0.320705  0.654115  0.153536  1
  H  H56  1  0.320741  0.654115  0.320194  1
  H  H57  1  0.320770  0.654115  0.486933  1
  H  H58  1  0.320741  0.654115  0.653672  1
  H  H59  1  0.320705  0.654115  0.820331  1
  H  H60  1  0.320950  0.820384  -0.013067  1
  H  H61  1  0.320686  0.820953  0.153484  1
  H  H62  1  0.320748  0.820813  0.320184  1
  H  H63  1  0.320783  0.820760  0.486933  1
  H  H64  1  0.320748  0.820813  0.653683  1
  H  H65  1  0.320686  0.820953  0.820383  1
  H  H66  1  0.321595  0.986634  -0.013067  1
  H  H67  1  0.320307  0.987923  0.153105  1
  H  H68  1  0.320834  0.987396  0.320287  1
  H  H69  1  0.320797  0.987432  0.486933  1
  H  H70  1  0.320834  0.987396  0.653580  1
  H  H71  1  0.320307  0.987923  0.820762  1
  H  H72  1  0.486595  0.154115  -0.013067  1
  H  H73  1  0.487179  0.154115  0.153415  1
  H  H74  1  0.487422  0.154115  0.320177  1
  H  H75  1  0.487475  0.154115  0.486933  1
  H  H76  1  0.487422  0.154115  0.653690  1
  H  H77  1  0.487179  0.154115  0.820452  1
  H  H78  1  0.487846  0.320950  -0.013067  1
  H  H79  1  0.487276  0.320686  0.153484  1
  H  H80  1  0.487417  0.320748  0.320184  1
  H  H81  1  0.487470  0.320783  0.486933  1
  H  H82  1  0.487417  0.320748  0.653683  1
  H  H83  1  0.487276  0.320686  0.820383  1
  H  H84  1  0.487477  0.487477  -0.013067  1
  H  H85  1  0.487477  0.487477  0.153643  1
  H  H86  1  0.487397  0.487397  0.320194  1
  H  H87  1  0.487453  0.487453  0.486933  1
  H  H88  1  0.487397  0.487397  0.653673  1
  H  H89  1  0.487477  0.487477  0.820224  1
  H  H90  1  0.487434  0.654115  -0.013067  1
  H  H91  1  0.487440  0.654115  0.153620  1
  H  H92  1  0.487408  0.654115  0.320228  1
  H  H93  1  0.487436  0.654115  0.486933  1
  H  H94  1  0.487408  0.654115  0.653639  1
  H  H95  1  0.487440  0.654115  0.820247  1
  H  H96  1  0.487477  0.820753  -0.013067  1
  H  H97  1  0.487477  0.820752  0.153643  1
  H  H98  1  0.487397  0.820833  0.320194  1
  H  H99  1  0.487453  0.820777  0.486933  1
  H  H100  1  0.487397  0.820833  0.653673  1
  H  H101  1  0.487477  0.820752  0.820224  1
  H  H102  1  0.487846  0.987280  -0.013067  1
  H  H103  1  0.487276  0.987544  0.153484  1
  H  H104  1  0.487417  0.987482  0.320184  1
  H  H105  1  0.487470  0.987446  0.486933  1
  H  H106  1  0.487417  0.987482  0.653683  1
  H  H107  1  0.487276  0.987544  0.820383  1
  H  H108  1  0.654115  0.154115  -0.013067  1
  H  H109  1  0.654115  0.154115  0.153496  1
  H  H110  1  0.654115  0.154115  0.320182  1
  H  H111  1  0.654115  0.154115  0.486933  1
  H  H112  1  0.654115  0.154115  0.653685  1
  H  H113  1  0.654115  0.154115  0.820371  1
  H  H114  1  0.654115  0.320760  -0.013067  1
  H  H115  1  0.654115  0.320705  0.153536  1
  H  H116  1  0.654115  0.320741  0.320194  1
  H  H117  1  0.654115  0.320770  0.486933  1
  H  H118  1  0.654115  0.320741  0.653672  1
  H  H119  1  0.654115  0.320705  0.820331  1
  H  H120  1  0.654115  0.487434  -0.013067  1
  H  H121  1  0.654115  0.487440  0.153620  1
  H  H122  1  0.654115  0.487408  0.320228  1
  H  H123  1  0.654115  0.487436  0.486933  1
  H  H124  1  0.654115  0.487408  0.653639  1
  H  H125  1  0.654115  0.487440  0.820247  1
  H  H126  1  0.654115  0.654115  -0.013067  1
  H  H127  1  0.654115  0.654115  0.153614  1
  H  H128  1  0.654115  0.654115  0.320262  1
  H  H129  1  0.654115  0.654115  0.486933  1
  H  H130  1  0.654115  0.654115  0.653605  1
  H  H131  1  0.654115  0.654115  0.820253  1
  H  H132  1  0.654115  0.820796  -0.013067  1
  H  H133  1  0.654115  0.820790  0.153620  1
  H  H134  1  0.654115  0.820821  0.320228  1
  H  H135  1  0.654115  0.820794  0.486933  1
  H  H136  1  0.654115  0.820821  0.653639  1
  H  H137  1  0.654115  0.820790  0.820247  1
  H  H138  1  0.654115  0.987470  -0.013067  1
  H  H139  1  0.654115  0.987524  0.153536  1
  H  H140  1  0.654115  0.987488  0.320194  1
  H  H141  1  0.654115  0.987460  0.486933  1
  H  H142  1  0.654115  0.987488  0.653672  1
  H  H143  1  0.654115  0.987524  0.820331  1
  H  H144  1  0.821635  0.154115  -0.013067  1
  H  H145  1  0.821050  0.154115  0.153415  1
  H  H146  1  0.820808  0.154115  0.320177  1
  H  H147  1  0.820754  0.154115  0.486933  1
  H  H148  1  0.820808  0.154115  0.653690  1
  H  H149  1  0.821050  0.154115  0.820452  1
  H  H150  1  0.820384  0.320950  -0.013067  1
  H  H151  1  0.820953  0.320686  0.153484  1
  H  H152  1  0.820813  0.320748  0.320184  1
  H  H153  1  0.820760  0.320783  0.486933  1
  H  H154  1  0.820813  0.320748  0.653683  1
  H  H155  1  0.820953  0.320686  0.820383  1
  H  H156  1  0.820753  0.487477  -0.013067  1
  H  H157  1  0.820752  0.487477  0.153643  1
  H  H158  1  0.820833  0.487397  0.320194  1
  H  H159  1  0.820777  0.487453  0.486933  1
  H  H160  1  0.820833  0.487397  0.653673  1
  H  H161  1  0.820752  0.487477  0.820224  1
  H  H162  1  0.820796  0.654115  -0.013067  1
  H  H163  1  0.820790  0.654115  0.153620  1
  H  H164  1  0.820821  0.654115  0.320228  1
  H  H165  1  0.820794  0.654115  0.486933  1
  H  H166  1  0.820821  0.654115  0.653639  1
  H  H167  1  0.820790  0.654115  0.820247  1
  H  H168  1  0.820753  0.820753  -0.013067  1
  H  H169  1  0.820752  0.820752  0.153643  1
  H  H170  1  0.820833  0.820833  0.320194  1
  H  H171  1  0.820777  0.820777  0.486933  1
  H  H172  1  0.820833  0.820833  0.653673  1
  H  H173  1  0.820752  0.820752  0.820224  1
  H  H174  1  0.820384  0.987280  -0.013067  1
  H  H175  1  0.820953  0.987544  0.153484  1
  H  H176  1  0.820813  0.987482  0.320184  1
  H  H177  1  0.820760  0.987446  0.486933  1
  H  H178  1  0.820813  0.987482  0.653683  1
  H  H179  1  0.820953  0.987544  0.820383  1
  H  H180  1  0.990811  0.154115  -0.013067  1
  H  H181  1  0.987945  0.154115  0.153332  1
  H  H182  1  0.987361  0.154115  0.320303  1
  H  H183  1  0.987427  0.154115  0.486933  1
  H  H184  1  0.987361  0.154115  0.653564  1
  H  H185  1  0.987945  0.154115  0.820535  1
  H  H186  1  0.986634  0.321595  -0.013067  1
  H  H187  1  0.987923  0.320307  0.153105  1
  H  H188  1  0.987396  0.320834  0.320287  1
  H  H189  1  0.987432  0.320797  0.486933  1
  H  H190  1  0.987396  0.320834  0.653580  1
  H  H191  1  0.987923  0.320307  0.820762  1
  H  H192  1  0.987280  0.487846  -0.013067  1
  H  H193  1  0.987544  0.487276  0.153484  1
  H  H194  1  0.987482  0.487417  0.320184  1
  H  H195  1  0.987446  0.487470  0.486933  1
  H  H196  1  0.987482  0.487417  0.653683  1
  H  H197  1  0.987544  0.487276  0.820383  1
  H  H198  1  0.987470  0.654115  -0.013067  1
  H  H199  1  0.987524  0.654115  0.153536  1
  H  H200  1  0.987488  0.654115  0.320194  1
  H  H201  1  0.987460  0.654115  0.486933  1
  H  H202  1  0.987488  0.654115  0.653672  1
  H  H203  1  0.987524  0.654115  0.820331  1
  H  H204  1  0.987280  0.820384  -0.013067  1
  H  H205  1  0.987544  0.820953  0.153484  1
  H  H206  1  0.987482  0.820813  0.320184  1
  H  H207  1  0.987446  0.820760  0.486933  1
  H  H208  1  0.987482  0.820813  0.653683  1
  H  H209  1  0.987544  0.820953  0.820383  1
  H  H210  1  0.986634  0.986634  -0.013067  1
  H  H211  1  0.987923  0.987923  0.153105  1
  H  H212  1  0.987396  0.987396  0.320287  1
  H  H213  1  0.987432  0.987432  0.486933  1
  H  H214  1  0.987396  0.987396  0.653580  1
  H  H215  1  0.987923  0.987923  0.820762  1
  H  H216  1  0.072480  0.072480  -0.094688  1
  H  H217  1  0.072480  0.072480  0.068555  1
  H  H218  1  1.070664  1.070664  0.237214  1
  H  H219  1  1.070767  1.070767  0.403596  1
  H  H220  1  1.070767  1.070767  0.570271  1
  H  H221  1  1.070664  1.070664  0.736652  1
  H  H222  1  0.072480  0.235750  -0.094688  1
  H  H223  1  0.072480  0.235750  0.068555  1
  H  H224  1  1.070664  0.237565  0.237214  1
  H  H225  1  1.070767  0.237462  0.403596  1
  H  H226  1  1.070767  0.237462  0.570271  1
  H  H227  1  1.070664  0.237565  0.736652  1
  H  H228  1  0.070787  0.403637  -0.096137  1
  H  H229  1  0.070787  0.403637  0.070004  1
  H  H230  1  0.070820  0.403976  0.236769  1
  H  H231  1  1.070775  0.404149  0.403594  1
  H  H232  1  1.070775  0.404149  0.570273  1
  H  H233  1  0.070820  0.403976  0.737098  1
  H  H234  1  0.070846  0.570637  -0.096321  1
  H  H235  1  0.070846  0.570637  0.070188  1
  H  H236  1  0.070822  0.570720  0.236819  1
  H  H237  1  0.070791  0.570784  0.403557  1
  H  H238  1  0.070791  0.570784  0.570310  1
  H  H239  1  0.070822  0.570720  0.737048  1
  H  H240  1  0.070846  0.737593  -0.096321  1
  H  H241  1  0.070846  0.737593  0.070188  1
  H  H242  1  0.070822  0.737510  0.236819  1
  H  H243  1  0.070791  0.737445  0.403557  1
  H  H244  1  0.070791  0.737445  0.570310  1
  H  H245  1  0.070822  0.737510  0.737048  1
  H  H246  1  0.070787  0.904593  -0.096137  1
  H  H247  1  0.070787  0.904593  0.070004  1
  H  H248  1  0.070820  0.904254  0.236769  1
  H  H249  1  1.070775  0.904080  0.403594  1
  H  H250  1  1.070775  0.904080  0.570273  1
  H  H251  1  0.070820  0.904254  0.737098  1
  H  H252  1  0.235750  0.072480  -0.094688  1
  H  H253  1  0.235750  0.072480  0.068555  1
  H  H254  1  0.237565  1.070664  0.237214  1
  H  H255  1  0.237462  1.070767  0.403596  1
  H  H256  1  0.237462  1.070767  0.570271  1
  H  H257  1  0.237565  1.070664  0.736652  1
  H  H258  1  0.235750  0.235750  -0.094688  1
  H  H259  1  0.235750  0.235750  0.068555  1
  H  H260  1  0.237565  0.237565  0.237214  1
  H  H261  1  0.237462  0.237462  0.403596  1
  H  H262  1  0.237462  0.237462  0.570271  1
  H  H263  1  0.237565  0.237565  0.736652  1
  H  H264  1  0.237443  0.403637  -0.096137  1
  H  H265  1  0.237443  0.403637  0.070004  1
  H  H266  1  0.237410  0.403976  0.236769  1
  H  H267  1  0.237455  0.404149  0.403594  1
  H  H268  1  0.237455  0.404149  0.570273  1
  H  H269  1  0.237410  0.403976  0.737098  1
  H  H270  1  0.237384  0.570637  -0.096321  1
  H  H271  1  0.237384  0.570637  0.070188  1
  H  H272  1  0.237407  0.570720  0.236819  1
  H  H273  1  0.237439  0.570784  0.403557  1
  H  H274  1  0.237439  0.570784  0.570310  1
  H  H275  1  0.237407  0.570720  0.737048  1
  H  H276  1  0.237384  0.737593  -0.096321  1
  H  H277  1  0.237384  0.737593  0.070188  1
  H  H278  1  0.237407  0.737510  0.236819  1
  H  H279  1  0.237439  0.737445  0.403557  1
  H  H280  1  0.237439  0.737445  0.570310  1
  H  H281  1  0.237407  0.737510  0.737048  1
  H  H282  1  0.237443  0.904593  -0.096137  1
  H  H283  1  0.237443  0.904593  0.070004  1
  H  H284  1  0.237410  0.904254  0.236769  1
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