# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.53817561
_cell_length_b   16.98670406
_cell_length_c   47.31561922
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.41024374
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H528
_cell_volume   10695.7999039
_cell_formula_units_Z   264
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  0.886385  0.056085  0.288790  1
  H  H2  1  0.553052  0.056085  0.288790  1
  H  H3  1  0.812290  0.687717  0.275366  1
  H  H4  1  0.219718  0.056085  0.288790  1
  H  H5  1  0.478957  0.687717  0.275366  1
  H  H6  1  1.145623  0.687717  0.275366  1
  H  H7  1  0.938090  0.184570  0.286825  1
  H  H8  1  0.604757  0.184570  0.286825  1
  H  H9  1  0.902974  0.656040  0.315802  1
  H  H10  1  0.271423  0.184570  0.286825  1
  H  H11  1  0.569641  0.656040  0.315802  1
  H  H12  1  0.236307  0.656040  0.315802  1
  H  H13  1  0.904962  0.320439  0.278975  1
  H  H14  1  0.571628  0.320439  0.278975  1
  H  H15  1  0.703441  0.790952  0.304245  1
  H  H16  1  0.238295  0.320439  0.278975  1
  H  H17  1  0.370108  0.790952  0.304245  1
  H  H18  1  1.036775  0.790952  0.304245  1
  H  H19  1  0.799317  0.407213  0.310620  1
  H  H20  1  0.465984  0.407213  0.310620  1
  H  H21  1  0.835166  0.928731  0.298556  1
  H  H22  1  1.132651  0.407213  0.310620  1
  H  H23  1  0.501833  0.928731  0.298556  1
  H  H24  1  0.168500  0.928731  0.298556  1
  H  H25  1  0.719718  0.056085  0.288790  1
  H  H26  1  0.386385  0.056085  0.288790  1
  H  H27  1  0.645623  0.687717  0.275366  1
  H  H28  1  1.053052  0.056085  0.288790  1
  H  H29  1  0.312290  0.687717  0.275366  1
  H  H30  1  0.978957  0.687717  0.275366  1
  H  H31  1  0.771423  0.184570  0.286825  1
  H  H32  1  0.438090  0.184570  0.286825  1
  H  H33  1  0.736307  0.656040  0.315802  1
  H  H34  1  1.104757  0.184570  0.286825  1
  H  H35  1  0.402974  0.656040  0.315802  1
  H  H36  1  1.069641  0.656040  0.315802  1
  H  H37  1  0.738295  0.320439  0.278975  1
  H  H38  1  0.404962  0.320439  0.278975  1
  H  H39  1  0.536775  0.790952  0.304245  1
  H  H40  1  1.071628  0.320439  0.278975  1
  H  H41  1  0.203441  0.790952  0.304245  1
  H  H42  1  0.870108  0.790952  0.304245  1
  H  H43  1  0.632651  0.407213  0.310620  1
  H  H44  1  0.299317  0.407213  0.310620  1
  H  H45  1  0.668500  0.928731  0.298556  1
  H  H46  1  0.965984  0.407213  0.310620  1
  H  H47  1  0.335166  0.928731  0.298556  1
  H  H48  1  1.001833  0.928731  0.298556  1
  H  H49  1  0.733228  0.007455  0.333604  1
  H  H50  1  0.399894  0.007455  0.333604  1
  H  H51  1  0.850065  0.534326  0.308603  1
  H  H52  1  1.066561  0.007455  0.333604  1
  H  H53  1  0.516731  0.534326  0.308603  1
  H  H54  1  0.183398  0.534326  0.308603  1
  H  H55  1  0.865927  0.139898  0.327808  1
  H  H56  1  0.532594  0.139898  0.327808  1
  H  H57  1  0.832669  0.603249  0.352897  1
  H  H58  1  0.199261  0.139898  0.327808  1
  H  H59  1  0.499335  0.603249  0.352897  1
  H  H60  1  0.166002  0.603249  0.352897  1
  H  H61  1  0.833260  0.271710  0.319886  1
  H  H62  1  0.499927  0.271710  0.319886  1
  H  H63  1  0.798854  0.741489  0.345569  1
  H  H64  1  0.166593  0.271710  0.319886  1
  H  H65  1  0.465520  0.741489  0.345569  1
  H  H66  1  1.132187  0.741489  0.345569  1
  H  H67  1  0.728726  0.355233  0.351775  1
  H  H68  1  0.395392  0.355233  0.351775  1
  H  H69  1  0.766389  0.873642  0.338653  1
  H  H70  1  1.062059  0.355233  0.351775  1
  H  H71  1  0.433055  0.873642  0.338653  1
  H  H72  1  1.099722  0.873642  0.338653  1
  H  H73  1  0.566561  0.007455  0.333604  1
  H  H74  1  0.233228  0.007455  0.333604  1
  H  H75  1  0.683398  0.534326  0.308603  1
  H  H76  1  0.899894  0.007455  0.333604  1
  H  H77  1  0.350065  0.534326  0.308603  1
  H  H78  1  1.016731  0.534326  0.308603  1
  H  H79  1  0.699261  0.139898  0.327808  1
  H  H80  1  0.365927  0.139898  0.327808  1
  H  H81  1  0.666002  0.603249  0.352897  1
  H  H82  1  1.032594  0.139898  0.327808  1
  H  H83  1  0.332669  0.603249  0.352897  1
  H  H84  1  0.999335  0.603249  0.352897  1
  H  H85  1  0.666593  0.271710  0.319886  1
  H  H86  1  0.333260  0.271710  0.319886  1
  H  H87  1  0.632187  0.741489  0.345569  1
  H  H88  1  0.999927  0.271710  0.319886  1
  H  H89  1  0.298854  0.741489  0.345569  1
  H  H90  1  0.965520  0.741489  0.345569  1
  H  H91  1  0.562059  0.355233  0.351775  1
  H  H92  1  0.228726  0.355233  0.351775  1
  H  H93  1  0.599722  0.873642  0.338653  1
  H  H94  1  0.895392  0.355233  0.351775  1
  H  H95  1  0.266389  0.873642  0.338653  1
  H  H96  1  0.933055  0.873642  0.338653  1
  H  H97  1  0.662673  -0.045310  0.372952  1
  H  H98  1  0.329340  -0.045310  0.372952  1
  H  H99  1  0.779396  0.481409  0.350093  1
  H  H100  1  0.996007  -0.045310  0.372952  1
  H  H101  1  0.446062  0.481409  0.350093  1
  H  H102  1  1.112729  0.481409  0.350093  1
  H  H103  1  0.795749  0.088853  0.367484  1
  H  H104  1  0.462416  0.088853  0.367484  1
  H  H105  1  0.761795  0.553052  0.391571  1
  H  H106  1  1.129083  0.088853  0.367484  1
  H  H107  1  0.428461  0.553052  0.391571  1
  H  H108  1  1.095128  0.553052  0.391571  1
  H  H109  1  0.762903  0.223237  0.361123  1
  H  H110  1  0.429569  0.223237  0.361123  1
  H  H111  1  0.728385  0.687704  0.384657  1
  H  H112  1  1.096236  0.223237  0.361123  1
  H  H113  1  0.395052  0.687704  0.384657  1
  H  H114  1  1.061718  0.687704  0.384657  1
  H  H115  1  0.657971  0.305329  0.395293  1
  H  H116  1  0.324637  0.305329  0.395293  1
  H  H117  1  0.695721  0.821614  0.378779  1
  H  H118  1  0.991304  0.305329  0.395293  1
  H  H119  1  0.362388  0.821614  0.378779  1
  H  H120  1  1.029054  0.821614  0.378779  1
  H  H121  1  0.496007  -0.045310  0.372952  1
  H  H122  1  0.162673  -0.045310  0.372952  1
  H  H123  1  0.612729  0.481409  0.350093  1
  H  H124  1  0.829340  -0.045310  0.372952  1
  H  H125  1  0.279396  0.481409  0.350093  1
  H  H126  1  0.946062  0.481409  0.350093  1
  H  H127  1  0.629083  0.088853  0.367484  1
  H  H128  1  0.295749  0.088853  0.367484  1
  H  H129  1  0.595128  0.553052  0.391571  1
  H  H130  1  0.962416  0.088853  0.367484  1
  H  H131  1  0.261795  0.553052  0.391571  1
  H  H132  1  0.928461  0.553052  0.391571  1
  H  H133  1  0.596236  0.223237  0.361123  1
  H  H134  1  0.262903  0.223237  0.361123  1
  H  H135  1  0.561718  0.687704  0.384657  1
  H  H136  1  0.929569  0.223237  0.361123  1
  H  H137  1  0.228385  0.687704  0.384657  1
  H  H138  1  0.895052  0.687704  0.384657  1
  H  H139  1  0.491304  0.305329  0.395293  1
  H  H140  1  1.157971  0.305329  0.395293  1
  H  H141  1  0.529054  0.821614  0.378779  1
  H  H142  1  0.824637  0.305329  0.395293  1
  H  H143  1  0.195721  0.821614  0.378779  1
  H  H144  1  0.862388  0.821614  0.378779  1
  H  H145  1  0.759187  0.901155  0.412689  1
  H  H146  1  0.425854  0.901155  0.412689  1
  H  H147  1  0.708671  0.430456  0.390476  1
  H  H148  1  1.092520  0.901155  0.412689  1
  H  H149  1  0.375337  0.430456  0.390476  1
  H  H150  1  1.042004  0.430456  0.390476  1
  H  H151  1  0.726067  0.034872  0.407004  1
  H  H152  1  0.392734  0.034872  0.407004  1
  H  H153  1  0.690057  0.503774  0.430889  1
  H  H154  1  1.059401  0.034872  0.407004  1
  H  H155  1  0.356723  0.503774  0.430889  1
  H  H156  1  1.023390  0.503774  0.430889  1
  H  H157  1  0.692967  0.169503  0.401252  1
  H  H158  1  0.359634  0.169503  0.401252  1
  H  H159  1  0.657985  0.635549  0.424358  1
  H  H160  1  1.026301  0.169503  0.401252  1
  H  H161  1  0.324652  0.635549  0.424358  1
  H  H162  1  0.991319  0.635549  0.424358  1
  H  H163  1  0.591288  0.243224  0.436481  1
  H  H164  1  0.257955  0.243224  0.436481  1
  H  H165  1  0.625399  0.767856  0.418361  1
  H  H166  1  0.924622  0.243224  0.436481  1
  H  H167  1  0.292066  0.767856  0.418361  1
  H  H168  1  0.958733  0.767856  0.418361  1
  H  H169  1  0.592520  0.901155  0.412689  1
  H  H170  1  0.259187  0.901155  0.412689  1
  H  H171  1  0.542004  0.430456  0.390476  1
  H  H172  1  0.925854  0.901155  0.412689  1
  H  H173  1  0.208671  0.430456  0.390476  1
  H  H174  1  0.875337  0.430456  0.390476  1
  H  H175  1  0.559401  0.034872  0.407004  1
  H  H176  1  0.226067  0.034872  0.407004  1
  H  H177  1  0.523390  0.503774  0.430889  1
  H  H178  1  0.892734  0.034872  0.407004  1
  H  H179  1  0.190057  0.503774  0.430889  1
  H  H180  1  0.856723  0.503774  0.430889  1
  H  H181  1  0.526301  0.169503  0.401252  1
  H  H182  1  0.192967  0.169503  0.401252  1
  H  H183  1  0.491319  0.635549  0.424358  1
  H  H184  1  0.859634  0.169503  0.401252  1
  H  H185  1  1.157985  0.635549  0.424358  1
  H  H186  1  0.824652  0.635549  0.424358  1
  H  H187  1  0.424622  0.243224  0.436481  1
  H  H188  1  1.091288  0.243224  0.436481  1
  H  H189  1  0.458733  0.767856  0.418361  1
  H  H190  1  0.757955  0.243224  0.436481  1
  H  H191  1  1.125399  0.767856  0.418361  1
  H  H192  1  0.792066  0.767856  0.418361  1
  H  H193  1  0.689581  0.845933  0.452409  1
  H  H194  1  0.356248  0.845933  0.452409  1
  H  H195  1  0.724242  0.373131  0.433742  1
  H  H196  1  1.022914  0.845933  0.452409  1
  H  H197  1  0.390909  0.373131  0.433742  1
  H  H198  1  1.057575  0.373131  0.433742  1
  H  H199  1  0.656921  -0.021016  0.446838  1
  H  H200  1  0.323588  -0.021016  0.446838  1
  H  H201  1  0.621140  0.448344  0.469697  1
  H  H202  1  0.990254  -0.021016  0.446838  1
  H  H203  1  0.287807  0.448344  0.469697  1
  H  H204  1  0.954474  0.448344  0.469697  1
  H  H205  1  0.624236  0.111691  0.441466  1
  H  H206  1  0.290902  0.111691  0.441466  1
  H  H207  1  0.588519  0.581283  0.464470  1
  H  H208  1  0.957569  0.111691  0.441466  1
  H  H209  1  0.255185  0.581283  0.464470  1
  H  H210  1  0.921852  0.581283  0.464470  1
  H  H211  1  0.521706  0.186753  0.477073  1
  H  H212  1  0.188373  0.186753  0.477073  1
  H  H213  1  0.555591  0.713314  0.458305  1
  H  H214  1  0.855039  0.186753  0.477073  1
  H  H215  1  0.222257  0.713314  0.458305  1
  H  H216  1  0.888924  0.713314  0.458305  1
  H  H217  1  0.522914  0.845933  0.452409  1
  H  H218  1  0.189581  0.845933  0.452409  1
  H  H219  1  0.557575  0.373131  0.433742  1
  H  H220  1  0.856248  0.845933  0.452409  1
  H  H221  1  0.224242  0.373131  0.433742  1
  H  H222  1  0.890909  0.373131  0.433742  1
  H  H223  1  0.490254  -0.021016  0.446838  1
  H  H224  1  1.156921  -0.021016  0.446838  1
  H  H225  1  0.454474  0.448344  0.469697  1
  H  H226  1  0.823588  -0.021016  0.446838  1
  H  H227  1  1.121140  0.448344  0.469697  1
  H  H228  1  0.787807  0.448344  0.469697  1
  H  H229  1  0.457569  0.111691  0.441466  1
  H  H230  1  1.124236  0.111691  0.441466  1
  H  H231  1  0.421852  0.581283  0.464470  1
  H  H232  1  0.790902  0.111691  0.441466  1
  H  H233  1  1.088519  0.581283  0.464470  1
  H  H234  1  0.755185  0.581283  0.464470  1
  H  H235  1  0.355039  0.186753  0.477073  1
  H  H236  1  1.021706  0.186753  0.477073  1
  H  H237  1  0.388924  0.713314  0.458305  1
  H  H238  1  0.688373  0.186753  0.477073  1
  H  H239  1  1.055591  0.713314  0.458305  1
  H  H240  1  0.722257  0.713314  0.458305  1
  H  H241  1  0.620146  0.790254  0.492256  1
  H  H242  1  0.286813  0.790254  0.492256  1
  H  H243  1  0.654695  0.317016  0.473407  1
  H  H244  1  0.953480  0.790254  0.492256  1
  H  H245  1  0.321361  0.317016  0.473407  1
  H  H246  1  0.988028  0.317016  0.473407  1
  H  H247  1  0.587459  0.922992  0.486583  1
  H  H248  1  0.254126  0.922992  0.486583  1
  H  H249  1  0.551887  0.392681  0.509143  1
  H  H250  1  0.920792  0.922992  0.486583  1
  H  H251  1  0.218553  0.392681  0.509143  1
  H  H252  1  0.885220  0.392681  0.509143  1
  H  H253  1  0.554739  0.055543  0.481494  1
  H  H254  1  0.221406  0.055543  0.481494  1
  H  H255  1  0.519167  0.525231  0.504054  1
  H  H256  1  0.888072  0.055543  0.481494  1
  H  H257  1  0.185833  0.525231  0.504054  1
  H  H258  1  0.852500  0.525231  0.504054  1
  H  H259  1  0.451931  0.131208  0.517230  1
  H  H260  1  1.118598  0.131208  0.517230  1
  H  H261  1  0.486479  0.657969  0.498381  1
  H  H262  1  0.785264  0.131208  0.517230  1
  H  H263  1  1.153146  0.657969  0.498381  1
  H  H264  1  0.819813  0.657969  0.498381  1
  H  H265  1  0.453480  0.790254  0.492256  1
  H  H266  1  1.120146  0.790254  0.492256  1
  H  H267  1  0.488028  0.317016  0.473407  1
  H  H268  1  0.786813  0.790254  0.492256  1
  H  H269  1  1.154695  0.317016  0.473407  1
  H  H270  1  0.821361  0.317016  0.473407  1
  H  H271  1  0.420792  0.922992  0.486583  1
  H  H272  1  1.087459  0.922992  0.486583  1
  H  H273  1  0.385220  0.392681  0.509143  1
  H  H274  1  0.754126  0.922992  0.486583  1
  H  H275  1  1.051887  0.392681  0.509143  1
  H  H276  1  0.718553  0.392681  0.509143  1
  H  H277  1  0.388072  0.055543  0.481494  1
  H  H278  1  1.054739  0.055543  0.481494  1
  H  H279  1  0.352500  0.525231  0.504054  1
  H  H280  1  0.721406  0.055543  0.481494  1
  H  H281  1  1.019167  0.525231  0.504054  1
  H  H282  1  0.685833  0.525231  0.504054  1
  H  H283  1  0.285264  0.131208  0.517230  1
  H  H284  1  0.951931  0.131208  0.517230  1
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  H  H527  1  0.720241  0.392139  0.701847  1
  H  H528  1  0.386907  0.392139  0.701847  1
