# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.33812299
_cell_length_b   24.75031535
_cell_length_c   47.78061185
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.75292855
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H936
_cell_volume   19166.8730766
_cell_formula_units_Z   468
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  0.188197  0.732262  0.283685  1
  H  H2  1  0.688197  0.732262  0.283685  1
  H  H3  1  0.826713  0.741294  0.294049  1
  H  H4  1  0.021530  0.398928  0.283685  1
  H  H5  1  0.961796  0.743094  0.306046  1
  H  H6  1  0.160046  0.407961  0.294049  1
  H  H7  1  0.326713  0.741294  0.294049  1
  H  H8  1  0.521530  0.398928  0.283685  1
  H  H9  1  0.461796  0.743094  0.306046  1
  H  H10  1  0.660046  0.407961  0.294049  1
  H  H11  1  0.854864  0.065595  0.283685  1
  H  H12  1  0.795130  0.409761  0.306046  1
  H  H13  1  0.993380  0.074628  0.294049  1
  H  H14  1  0.128463  0.076428  0.306046  1
  H  H15  1  0.354864  0.065595  0.283685  1
  H  H16  1  0.295130  0.409761  0.306046  1
  H  H17  1  0.493380  0.074628  0.294049  1
  H  H18  1  0.628463  0.076428  0.306046  1
  H  H19  1  0.130035  0.566923  0.280499  1
  H  H20  1  0.630035  0.566923  0.280499  1
  H  H21  1  0.767410  0.572736  0.291944  1
  H  H22  1  0.963368  0.233590  0.280499  1
  H  H23  1  0.905103  0.575498  0.302797  1
  H  H24  1  0.100743  0.239403  0.291944  1
  H  H25  1  0.267410  0.572736  0.291944  1
  H  H26  1  0.463368  0.233590  0.280499  1
  H  H27  1  0.405103  0.575498  0.302797  1
  H  H28  1  0.600743  0.239403  0.291944  1
  H  H29  1  0.796701  0.900256  0.280499  1
  H  H30  1  0.738436  0.242165  0.302797  1
  H  H31  1  0.934077  0.906069  0.291944  1
  H  H32  1  0.071769  0.908831  0.302797  1
  H  H33  1  0.296701  0.900256  0.280499  1
  H  H34  1  0.238436  0.242165  0.302797  1
  H  H35  1  0.434077  0.906069  0.291944  1
  H  H36  1  0.571769  0.908831  0.302797  1
  H  H37  1  0.063152  0.490867  0.295454  1
  H  H38  1  0.563152  0.490867  0.295454  1
  H  H39  1  0.786321  0.480861  0.273212  1
  H  H40  1  0.896486  0.157534  0.295454  1
  H  H41  1  0.926910  0.484438  0.284476  1
  H  H42  1  0.119655  0.147528  0.273212  1
  H  H43  1  0.286321  0.480861  0.273212  1
  H  H44  1  0.396486  0.157534  0.295454  1
  H  H45  1  0.426910  0.484438  0.284476  1
  H  H46  1  0.619655  0.147528  0.273212  1
  H  H47  1  0.729819  0.824201  0.295454  1
  H  H48  1  0.760244  0.151105  0.284476  1
  H  H49  1  0.952988  0.814195  0.273212  1
  H  H50  1  0.093577  0.817772  0.284476  1
  H  H51  1  0.229819  0.824201  0.295454  1
  H  H52  1  0.260244  0.151105  0.284476  1
  H  H53  1  0.452988  0.814195  0.273212  1
  H  H54  1  0.593577  0.817772  0.284476  1
  H  H55  1  0.111896  0.659116  0.298872  1
  H  H56  1  0.611896  0.659116  0.298872  1
  H  H57  1  0.833502  0.649183  0.277183  1
  H  H58  1  0.945229  0.325782  0.298872  1
  H  H59  1  0.975319  0.651769  0.287886  1
  H  H60  1  0.166836  0.315850  0.277183  1
  H  H61  1  0.333502  0.649183  0.277183  1
  H  H62  1  0.445229  0.325782  0.298872  1
  H  H63  1  0.475319  0.651769  0.287886  1
  H  H64  1  0.666836  0.315850  0.277183  1
  H  H65  1  0.778563  0.992449  0.298872  1
  H  H66  1  0.808652  0.318436  0.287886  1
  H  H67  1  1.000169  0.982517  0.277183  1
  H  H68  1  0.141986  0.985102  0.287886  1
  H  H69  1  0.278563  0.992449  0.298872  1
  H  H70  1  0.308652  0.318436  0.287886  1
  H  H71  1  0.500169  0.982517  0.277183  1
  H  H72  1  0.641986  0.985102  0.287886  1
  H  H73  1  0.092387  0.749703  0.318981  1
  H  H74  1  0.592387  0.749703  0.318981  1
  H  H75  1  0.727210  0.755100  0.329800  1
  H  H76  1  0.925720  0.416370  0.318981  1
  H  H77  1  0.860949  0.759819  0.341237  1
  H  H78  1  0.060543  0.421767  0.329800  1
  H  H79  1  0.227210  0.755100  0.329800  1
  H  H80  1  0.425720  0.416370  0.318981  1
  H  H81  1  0.360949  0.759819  0.341237  1
  H  H82  1  0.560543  0.421767  0.329800  1
  H  H83  1  0.759054  0.083037  0.318981  1
  H  H84  1  0.694282  0.426485  0.341237  1
  H  H85  1  0.893877  0.088434  0.329800  1
  H  H86  1  0.027616  0.093152  0.341237  1
  H  H87  1  0.259054  0.083037  0.318981  1
  H  H88  1  0.194282  0.426485  0.341237  1
  H  H89  1  0.393877  0.088434  0.329800  1
  H  H90  1  0.527616  0.093152  0.341237  1
  H  H91  1  0.037690  0.581444  0.316059  1
  H  H92  1  0.537690  0.581444  0.316059  1
  H  H93  1  0.672292  0.587595  0.327282  1
  H  H94  1  0.871023  0.248111  0.316059  1
  H  H95  1  0.808744  0.591804  0.338182  1
  H  H96  1  0.005626  0.254262  0.327282  1
  H  H97  1  0.172292  0.587595  0.327282  1
  H  H98  1  0.371023  0.248111  0.316059  1
  H  H99  1  0.308744  0.591804  0.338182  1
  H  H100  1  0.505626  0.254262  0.327282  1
  H  H101  1  0.704357  0.914777  0.316059  1
  H  H102  1  0.642078  0.258471  0.338182  1
  H  H103  1  0.838959  0.920929  0.327282  1
  H  H104  1  0.975411  0.925138  0.338182  1
  H  H105  1  0.204357  0.914777  0.316059  1
  H  H106  1  0.142078  0.258471  0.338182  1
  H  H107  1  0.338959  0.920929  0.327282  1
  H  H108  1  0.475411  0.925138  0.338182  1
  H  H109  1  0.967912  0.505105  0.330996  1
  H  H110  1  0.467912  0.505105  0.330996  1
  H  H111  1  0.696992  0.495864  0.309005  1
  H  H112  1  0.801245  0.171771  0.330996  1
  H  H113  1  0.832409  0.500633  0.319797  1
  H  H114  1  0.030325  0.162531  0.309005  1
  H  H115  1  0.196992  0.495864  0.309005  1
  H  H116  1  0.301245  0.171771  0.330996  1
  H  H117  1  0.332409  0.500633  0.319797  1
  H  H118  1  0.530325  0.162531  0.309005  1
  H  H119  1  0.634578  0.838438  0.330996  1
  H  H120  1  0.665743  0.167299  0.319797  1
  H  H121  1  0.863659  0.829197  0.309005  1
  H  H122  1  0.999076  0.833966  0.319797  1
  H  H123  1  0.134578  0.838438  0.330996  1
  H  H124  1  0.165743  0.167299  0.319797  1
  H  H125  1  0.363659  0.829197  0.309005  1
  H  H126  1  0.499076  0.833966  0.319797  1
  H  H127  1  0.015872  0.672801  0.334680  1
  H  H128  1  0.515872  0.672801  0.334680  1
  H  H129  1  0.744725  0.662778  0.312978  1
  H  H130  1  0.849205  0.339468  0.334680  1
  H  H131  1  0.880329  0.668235  0.323301  1
  H  H132  1  0.078058  0.329444  0.312978  1
  H  H133  1  0.244725  0.662778  0.312978  1
  H  H134  1  0.349205  0.339468  0.334680  1
  H  H135  1  0.380329  0.668235  0.323301  1
  H  H136  1  0.578058  0.329444  0.312978  1
  H  H137  1  0.682539  1.006134  0.334680  1
  H  H138  1  0.713663  0.334901  0.323301  1
  H  H139  1  0.911391  0.996111  0.312978  1
  H  H140  1  0.046996  1.001568  0.323301  1
  H  H141  1  0.182539  1.006134  0.334680  1
  H  H142  1  0.213663  0.334901  0.323301  1
  H  H143  1  0.411391  0.996111  0.312978  1
  H  H144  1  0.546996  1.001568  0.323301  1
  H  H145  1  0.993933  0.765900  0.352995  1
  H  H146  1  0.493933  0.765900  0.352995  1
  H  H147  1  0.628553  0.771587  0.364558  1
  H  H148  1  0.827266  0.432566  0.352995  1
  H  H149  1  0.762724  0.777220  0.375859  1
  H  H150  1  0.961886  0.438254  0.364558  1
  H  H151  1  0.128553  0.771587  0.364558  1
  H  H152  1  0.327266  0.432566  0.352995  1
  H  H153  1  0.262724  0.777220  0.375859  1
  H  H154  1  0.461886  0.438254  0.364558  1
  H  H155  1  0.660600  0.099233  0.352995  1
  H  H156  1  0.596058  0.443887  0.375859  1
  H  H157  1  0.795219  0.104920  0.364558  1
  H  H158  1  0.929391  0.110554  0.375859  1
  H  H159  1  0.160600  0.099233  0.352995  1
  H  H160  1  0.096058  0.443887  0.375859  1
  H  H161  1  0.295219  0.104920  0.364558  1
  H  H162  1  0.429391  0.110554  0.375859  1
  H  H163  1  0.942263  0.597810  0.349799  1
  H  H164  1  0.442263  0.597810  0.349799  1
  H  H165  1  0.577473  0.603555  0.361531  1
  H  H166  1  0.775597  0.264477  0.349799  1
  H  H167  1  0.712935  0.609705  0.372438  1
  H  H168  1  0.910806  0.270222  0.361531  1
  H  H169  1  0.077473  0.603555  0.361531  1
  H  H170  1  0.275597  0.264477  0.349799  1
  H  H171  1  0.212935  0.609705  0.372438  1
  H  H172  1  0.410806  0.270222  0.361531  1
  H  H173  1  0.608930  0.931143  0.349799  1
  H  H174  1  0.546269  0.276372  0.372438  1
  H  H175  1  0.744139  0.936889  0.361531  1
  H  H176  1  0.879602  0.943039  0.372438  1
  H  H177  1  0.108930  0.931143  0.349799  1
  H  H178  1  0.046269  0.276372  0.372438  1
  H  H179  1  0.244139  0.936889  0.361531  1
  H  H180  1  0.379602  0.943039  0.372438  1
  H  H181  1  0.872452  0.522106  0.365128  1
  H  H182  1  0.372452  0.522106  0.365128  1
  H  H183  1  0.602078  0.510748  0.342614  1
  H  H184  1  0.705786  0.188772  0.365128  1
  H  H185  1  0.737308  0.516887  0.353959  1
  H  H186  1  0.935412  0.177415  0.342614  1
  H  H187  1  0.102078  0.510748  0.342614  1
  H  H188  1  0.205786  0.188772  0.365128  1
  H  H189  1  0.237308  0.516887  0.353959  1
  H  H190  1  0.435412  0.177415  0.342614  1
  H  H191  1  0.539119  0.855439  0.365128  1
  H  H192  1  0.570642  0.183554  0.353959  1
  H  H193  1  0.768745  0.844082  0.342614  1
  H  H194  1  0.903975  0.850221  0.353959  1
  H  H195  1  0.039119  0.855439  0.365128  1
  H  H196  1  0.070642  0.183554  0.353959  1
  H  H197  1  0.268745  0.844082  0.342614  1
  H  H198  1  0.403975  0.850221  0.353959  1
  H  H199  1  0.920038  0.690388  0.368854  1
  H  H200  1  0.420038  0.690388  0.368854  1
  H  H201  1  0.649414  0.679277  0.346391  1
  H  H202  1  0.753372  0.357055  0.368854  1
  H  H203  1  0.785035  0.684993  0.357715  1
  H  H204  1  0.982747  0.345943  0.346391  1
  H  H205  1  0.149414  0.679277  0.346391  1
  H  H206  1  0.253372  0.357055  0.368854  1
  H  H207  1  0.285035  0.684993  0.357715  1
  H  H208  1  0.482747  0.345943  0.346391  1
  H  H209  1  0.586705  0.023722  0.368854  1
  H  H210  1  0.618368  0.351660  0.357715  1
  H  H211  1  0.816080  0.012610  0.346391  1
  H  H212  1  0.951701  0.018326  0.357715  1
  H  H213  1  0.086705  0.023722  0.368854  1
  H  H214  1  0.118368  0.351660  0.357715  1
  H  H215  1  0.316080  0.012610  0.346391  1
  H  H216  1  0.451701  0.018326  0.357715  1
  H  H217  1  0.896793  0.783164  0.387292  1
  H  H218  1  0.396793  0.783164  0.387292  1
  H  H219  1  0.531322  0.789099  0.398797  1
  H  H220  1  0.730126  0.449831  0.387292  1
  H  H221  1  0.665991  0.795025  0.410200  1
  H  H222  1  0.864655  0.455766  0.398797  1
  H  H223  1  0.031322  0.789099  0.398797  1
  H  H224  1  0.230126  0.449831  0.387292  1
  H  H225  1  0.165991  0.795025  0.410200  1
  H  H226  1  0.364655  0.455766  0.398797  1
  H  H227  1  0.563459  0.116498  0.387292  1
  H  H228  1  0.499324  0.461692  0.410200  1
  H  H229  1  0.697989  0.122432  0.398797  1
  H  H230  1  0.832658  0.128358  0.410200  1
  H  H231  1  0.063459  0.116498  0.387292  1
  H  H232  1  0.999324  0.461692  0.410200  1
  H  H233  1  0.197989  0.122432  0.398797  1
  H  H234  1  0.332658  0.128358  0.410200  1
  H  H235  1  0.847515  0.615272  0.383779  1
  H  H236  1  0.347515  0.615272  0.383779  1
  H  H237  1  0.482305  0.621312  0.395186  1
  H  H238  1  0.680848  0.281939  0.383779  1
  H  H239  1  0.617479  0.627138  0.406571  1
  H  H240  1  0.815638  0.287978  0.395186  1
  H  H241  1  0.982305  0.621312  0.395186  1
  H  H242  1  0.180848  0.281939  0.383779  1
  H  H243  1  0.117479  0.627138  0.406571  1
  H  H244  1  0.315638  0.287978  0.395186  1
  H  H245  1  0.514181  0.948605  0.383779  1
  H  H246  1  0.450812  0.293805  0.406571  1
  H  H247  1  0.648972  0.954645  0.395186  1
  H  H248  1  0.784145  0.960472  0.406571  1
  H  H249  1  0.014181  0.948605  0.383779  1
  H  H250  1  0.950812  0.293805  0.406571  1
  H  H251  1  0.148972  0.954645  0.395186  1
  H  H252  1  0.284145  0.960472  0.406571  1
  H  H253  1  0.776975  0.539906  0.399003  1
  H  H254  1  0.276975  0.539906  0.399003  1
  H  H255  1  0.507013  0.528121  0.376476  1
  H  H256  1  0.610308  0.206572  0.399003  1
  H  H257  1  0.642055  0.534053  0.387740  1
  H  H258  1  0.840347  0.194788  0.376476  1
  H  H259  1  0.007013  0.528121  0.376476  1
  H  H260  1  0.110308  0.206572  0.399003  1
  H  H261  1  0.142055  0.534053  0.387740  1
  H  H262  1  0.340347  0.194788  0.376476  1
  H  H263  1  0.443641  0.873239  0.399003  1
  H  H264  1  0.475389  0.200720  0.387740  1
  H  H265  1  0.673680  0.861454  0.376476  1
  H  H266  1  0.808722  0.867387  0.387740  1
  H  H267  1  0.943641  0.873239  0.399003  1
  H  H268  1  0.975389  0.200720  0.387740  1
  H  H269  1  0.173680  0.861454  0.376476  1
  H  H270  1  0.308722  0.867387  0.387740  1
  H  H271  1  0.824563  0.707902  0.402961  1
  H  H272  1  0.324563  0.707902  0.402961  1
  H  H273  1  0.554528  0.696435  0.380295  1
  H  H274  1  0.657896  0.374569  0.402961  1
  H  H275  1  0.689524  0.702115  0.391662  1
  H  H276  1  0.887861  0.363102  0.380295  1
  H  H277  1  0.054528  0.696435  0.380295  1
  H  H278  1  0.157896  0.374569  0.402961  1
  H  H279  1  0.189524  0.702115  0.391662  1
  H  H280  1  0.387861  0.363102  0.380295  1
  H  H281  1  0.491230  0.041236  0.402961  1
  H  H282  1  0.522857  0.368782  0.391662  1
  H  H283  1  0.721194  0.029769  0.380295  1
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  H  H866  1  0.536399  0.937845  0.695492  1
  H  H867  1  0.672642  0.944274  0.706470  1
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  H  H871  1  0.172642  0.944274  0.706470  1
  H  H872  1  0.369733  0.604512  0.695492  1
  H  H873  1  0.313231  0.947851  0.717733  1
  H  H874  1  0.505975  0.610940  0.706470  1
  H  H875  1  0.703066  0.271178  0.695492  1
  H  H876  1  0.646564  0.614517  0.717733  1
  H  H877  1  0.839308  0.277607  0.706470  1
  H  H878  1  0.979897  0.281184  0.717733  1
  H  H879  1  0.203066  0.271178  0.695492  1
  H  H880  1  0.146564  0.614517  0.717733  1
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  H  H882  1  0.479897  0.281184  0.717733  1
  H  H883  1  0.987656  0.769596  0.692074  1
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  H  H887  1  0.766049  0.779529  0.713762  1
  H  H888  1  0.957566  0.443610  0.703060  1
  H  H889  1  0.124233  0.776943  0.703060  1
  H  H890  1  0.320989  0.436263  0.692074  1
  H  H891  1  0.266049  0.779529  0.713762  1
  H  H892  1  0.457566  0.443610  0.703060  1
  H  H893  1  0.654323  0.102930  0.692074  1
  H  H894  1  0.599383  0.446195  0.713762  1
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  H  H898  1  0.099383  0.446195  0.713762  1
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  H  H900  1  0.432716  0.112862  0.713762  1
  H  H901  1  0.911355  0.696450  0.707260  1
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  H  H903  1  0.637756  0.685618  0.684900  1
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  H  H909  1  0.272839  0.687418  0.696897  1
  H  H910  1  0.471089  0.352284  0.684900  1
  H  H911  1  0.578021  0.029784  0.707260  1
  H  H912  1  0.606172  0.354085  0.696897  1
  H  H913  1  0.804422  0.018951  0.684900  1
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  H  H919  1  0.969517  0.861789  0.710446  1
  H  H920  1  0.469517  0.861789  0.710446  1
  H  H921  1  0.694449  0.853214  0.688149  1
  H  H922  1  0.802850  0.528456  0.710446  1
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  H  H924  1  0.027783  0.519881  0.688149  1
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  H  H935  1  0.361116  0.186547  0.688149  1
  H  H936  1  0.498808  0.189309  0.699001  1
