# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.51655677
_cell_length_b   16.59865489
_cell_length_c   47.40842483
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.77933400
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H528
_cell_volume   11242.0431117
_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  0.629880  0.458610  0.289071  1
  H  H2  1  0.296547  0.458610  0.289071  1
  H  H3  1  0.463213  0.458610  0.289071  1
  H  H4  1  0.963213  0.458610  0.289071  1
  H  H5  1  0.129880  0.458610  0.289071  1
  H  H6  1  0.463213  0.958610  0.289071  1
  H  H7  1  0.629880  0.958610  0.289071  1
  H  H8  1  0.796547  0.458610  0.289071  1
  H  H9  1  0.129880  0.958610  0.289071  1
  H  H10  1  0.296547  0.958610  0.289071  1
  H  H11  1  0.796547  0.958610  0.289071  1
  H  H12  1  0.963213  0.958610  0.289071  1
  H  H13  1  0.588213  0.333610  0.289071  1
  H  H14  1  0.254880  0.333610  0.289071  1
  H  H15  1  0.421547  0.333610  0.289071  1
  H  H16  1  0.921547  0.333610  0.289071  1
  H  H17  1  0.088213  0.333610  0.289071  1
  H  H18  1  0.421547  0.833610  0.289071  1
  H  H19  1  0.588213  0.833610  0.289071  1
  H  H20  1  0.754880  0.333610  0.289071  1
  H  H21  1  0.088213  0.833610  0.289071  1
  H  H22  1  0.254880  0.833610  0.289071  1
  H  H23  1  0.754880  0.833610  0.289071  1
  H  H24  1  0.921547  0.833610  0.289071  1
  H  H25  1  0.546547  0.208610  0.289071  1
  H  H26  1  0.213213  0.208610  0.289071  1
  H  H27  1  0.379880  0.208610  0.289071  1
  H  H28  1  0.879880  0.208610  0.289071  1
  H  H29  1  0.046547  0.208610  0.289071  1
  H  H30  1  0.379880  0.708610  0.289071  1
  H  H31  1  0.546547  0.708610  0.289071  1
  H  H32  1  0.713213  0.208610  0.289071  1
  H  H33  1  0.046547  0.708610  0.289071  1
  H  H34  1  0.213213  0.708610  0.289071  1
  H  H35  1  0.713213  0.708610  0.289071  1
  H  H36  1  0.879880  0.708610  0.289071  1
  H  H37  1  0.504880  0.583610  0.289071  1
  H  H38  1  0.171547  0.583610  0.289071  1
  H  H39  1  0.338213  0.583610  0.289071  1
  H  H40  1  0.838213  0.583610  0.289071  1
  H  H41  1  1.004880  0.583610  0.289071  1
  H  H42  1  0.338213  0.083610  0.289071  1
  H  H43  1  0.504880  0.083610  0.289071  1
  H  H44  1  0.671547  0.583610  0.289071  1
  H  H45  1  1.004880  0.083610  0.289071  1
  H  H46  1  0.171547  0.083610  0.289071  1
  H  H47  1  0.671547  0.083610  0.289071  1
  H  H48  1  0.838213  0.083610  0.289071  1
  H  H49  1  0.548565  0.421053  0.328915  1
  H  H50  1  0.215231  0.421053  0.328915  1
  H  H51  1  0.381898  0.421053  0.328915  1
  H  H52  1  0.881898  0.421053  0.328915  1
  H  H53  1  0.048565  0.421053  0.328915  1
  H  H54  1  0.381898  0.921053  0.328915  1
  H  H55  1  0.548565  0.921053  0.328915  1
  H  H56  1  0.715231  0.421053  0.328915  1
  H  H57  1  0.048565  0.921053  0.328915  1
  H  H58  1  0.215231  0.921053  0.328915  1
  H  H59  1  0.715231  0.921053  0.328915  1
  H  H60  1  0.881898  0.921053  0.328915  1
  H  H61  1  0.506898  0.296053  0.328915  1
  H  H62  1  0.173565  0.296053  0.328915  1
  H  H63  1  0.340231  0.296053  0.328915  1
  H  H64  1  0.840231  0.296053  0.328915  1
  H  H65  1  1.006898  0.296053  0.328915  1
  H  H66  1  0.340231  0.796053  0.328915  1
  H  H67  1  0.506898  0.796053  0.328915  1
  H  H68  1  0.673565  0.296053  0.328915  1
  H  H69  1  1.006898  0.796053  0.328915  1
  H  H70  1  0.173565  0.796053  0.328915  1
  H  H71  1  0.673565  0.796053  0.328915  1
  H  H72  1  0.840231  0.796053  0.328915  1
  H  H73  1  0.465231  0.171053  0.328915  1
  H  H74  1  0.131898  0.171053  0.328915  1
  H  H75  1  0.298565  0.171053  0.328915  1
  H  H76  1  0.798565  0.171053  0.328915  1
  H  H77  1  0.965231  0.171053  0.328915  1
  H  H78  1  0.298565  0.671053  0.328915  1
  H  H79  1  0.465231  0.671053  0.328915  1
  H  H80  1  0.631898  0.171053  0.328915  1
  H  H81  1  0.965231  0.671053  0.328915  1
  H  H82  1  0.131898  0.671053  0.328915  1
  H  H83  1  0.631898  0.671053  0.328915  1
  H  H84  1  0.798565  0.671053  0.328915  1
  H  H85  1  0.423565  0.546053  0.328915  1
  H  H86  1  0.090231  0.546053  0.328915  1
  H  H87  1  0.256898  0.546053  0.328915  1
  H  H88  1  0.756898  0.546053  0.328915  1
  H  H89  1  0.923565  0.546053  0.328915  1
  H  H90  1  0.256898  0.046053  0.328915  1
  H  H91  1  0.423565  0.046053  0.328915  1
  H  H92  1  0.590231  0.546053  0.328915  1
  H  H93  1  0.923565  0.046053  0.328915  1
  H  H94  1  0.090231  0.046053  0.328915  1
  H  H95  1  0.590231  0.046053  0.328915  1
  H  H96  1  0.756898  0.046053  0.328915  1
  H  H97  1  0.467139  0.384693  0.368212  1
  H  H98  1  0.133806  0.384693  0.368212  1
  H  H99  1  0.300472  0.384693  0.368212  1
  H  H100  1  0.800472  0.384693  0.368212  1
  H  H101  1  0.967139  0.384693  0.368212  1
  H  H102  1  0.300472  0.884693  0.368212  1
  H  H103  1  0.467139  0.884693  0.368212  1
  H  H104  1  0.633806  0.384693  0.368212  1
  H  H105  1  0.967139  0.884693  0.368212  1
  H  H106  1  0.133806  0.884693  0.368212  1
  H  H107  1  0.633806  0.884693  0.368212  1
  H  H108  1  0.800472  0.884693  0.368212  1
  H  H109  1  0.425472  0.259693  0.368212  1
  H  H110  1  0.092139  0.259693  0.368212  1
  H  H111  1  0.258806  0.259693  0.368212  1
  H  H112  1  0.758806  0.259693  0.368212  1
  H  H113  1  0.925472  0.259693  0.368212  1
  H  H114  1  0.258806  0.759693  0.368212  1
  H  H115  1  0.425472  0.759693  0.368212  1
  H  H116  1  0.592139  0.259693  0.368212  1
  H  H117  1  0.925472  0.759693  0.368212  1
  H  H118  1  0.092139  0.759693  0.368212  1
  H  H119  1  0.592139  0.759693  0.368212  1
  H  H120  1  0.758806  0.759693  0.368212  1
  H  H121  1  0.383806  0.134693  0.368212  1
  H  H122  1  0.050472  0.134693  0.368212  1
  H  H123  1  0.217139  0.134693  0.368212  1
  H  H124  1  0.717139  0.134693  0.368212  1
  H  H125  1  0.883806  0.134693  0.368212  1
  H  H126  1  0.217139  0.634693  0.368212  1
  H  H127  1  0.383806  0.634693  0.368212  1
  H  H128  1  0.550472  0.134693  0.368212  1
  H  H129  1  0.883806  0.634693  0.368212  1
  H  H130  1  0.050472  0.634693  0.368212  1
  H  H131  1  0.550472  0.634693  0.368212  1
  H  H132  1  0.717139  0.634693  0.368212  1
  H  H133  1  0.342139  0.509693  0.368212  1
  H  H134  1  1.008806  0.509693  0.368212  1
  H  H135  1  0.175472  0.509693  0.368212  1
  H  H136  1  0.675472  0.509693  0.368212  1
  H  H137  1  0.842139  0.509693  0.368212  1
  H  H138  1  0.175472  0.009693  0.368212  1
  H  H139  1  0.342139  0.009693  0.368212  1
  H  H140  1  0.508806  0.509693  0.368212  1
  H  H141  1  0.842139  0.009693  0.368212  1
  H  H142  1  1.008806  0.009693  0.368212  1
  H  H143  1  0.508806  0.009693  0.368212  1
  H  H144  1  0.675472  0.009693  0.368212  1
  H  H145  1  0.385727  0.347851  0.407666  1
  H  H146  1  0.052394  0.347851  0.407666  1
  H  H147  1  0.219061  0.347851  0.407666  1
  H  H148  1  0.719061  0.347851  0.407666  1
  H  H149  1  0.885727  0.347851  0.407666  1
  H  H150  1  0.219061  0.847851  0.407666  1
  H  H151  1  0.385727  0.847851  0.407666  1
  H  H152  1  0.552394  0.347851  0.407666  1
  H  H153  1  0.885727  0.847851  0.407666  1
  H  H154  1  0.052394  0.847851  0.407666  1
  H  H155  1  0.552394  0.847851  0.407666  1
  H  H156  1  0.719061  0.847851  0.407666  1
  H  H157  1  0.344061  0.222851  0.407666  1
  H  H158  1  0.010727  0.222851  0.407666  1
  H  H159  1  0.177394  0.222851  0.407666  1
  H  H160  1  0.677394  0.222851  0.407666  1
  H  H161  1  0.844061  0.222851  0.407666  1
  H  H162  1  0.177394  0.722851  0.407666  1
  H  H163  1  0.344061  0.722851  0.407666  1
  H  H164  1  0.510727  0.222851  0.407666  1
  H  H165  1  0.844061  0.722851  0.407666  1
  H  H166  1  0.010727  0.722851  0.407666  1
  H  H167  1  0.510727  0.722851  0.407666  1
  H  H168  1  0.677394  0.722851  0.407666  1
  H  H169  1  0.302394  0.097851  0.407666  1
  H  H170  1  0.969061  0.097851  0.407666  1
  H  H171  1  0.135727  0.097851  0.407666  1
  H  H172  1  0.635727  0.097851  0.407666  1
  H  H173  1  0.802394  0.097851  0.407666  1
  H  H174  1  0.135727  0.597851  0.407666  1
  H  H175  1  0.302394  0.597851  0.407666  1
  H  H176  1  0.469061  0.097851  0.407666  1
  H  H177  1  0.802394  0.597851  0.407666  1
  H  H178  1  0.969061  0.597851  0.407666  1
  H  H179  1  0.469061  0.597851  0.407666  1
  H  H180  1  0.635727  0.597851  0.407666  1
  H  H181  1  0.260727  0.472851  0.407666  1
  H  H182  1  0.927394  0.472851  0.407666  1
  H  H183  1  0.094061  0.472851  0.407666  1
  H  H184  1  0.594061  0.472851  0.407666  1
  H  H185  1  0.760727  0.472851  0.407666  1
  H  H186  1  0.094061  0.972851  0.407666  1
  H  H187  1  0.260727  0.972851  0.407666  1
  H  H188  1  0.427394  0.472851  0.407666  1
  H  H189  1  0.760727  0.972851  0.407666  1
  H  H190  1  0.927394  0.972851  0.407666  1
  H  H191  1  0.427394  0.972851  0.407666  1
  H  H192  1  0.594061  0.972851  0.407666  1
  H  H193  1  0.304297  0.311218  0.447125  1
  H  H194  1  0.970963  0.311218  0.447125  1
  H  H195  1  0.137630  0.311218  0.447125  1
  H  H196  1  0.637630  0.311218  0.447125  1
  H  H197  1  0.804297  0.311218  0.447125  1
  H  H198  1  0.137630  0.811218  0.447125  1
  H  H199  1  0.304297  0.811218  0.447125  1
  H  H200  1  0.470963  0.311218  0.447125  1
  H  H201  1  0.804297  0.811218  0.447125  1
  H  H202  1  0.970963  0.811218  0.447125  1
  H  H203  1  0.470963  0.811218  0.447125  1
  H  H204  1  0.637630  0.811218  0.447125  1
  H  H205  1  0.262630  0.186218  0.447125  1
  H  H206  1  0.929297  0.186218  0.447125  1
  H  H207  1  0.095963  0.186218  0.447125  1
  H  H208  1  0.595963  0.186218  0.447125  1
  H  H209  1  0.762630  0.186218  0.447125  1
  H  H210  1  0.095963  0.686218  0.447125  1
  H  H211  1  0.262630  0.686218  0.447125  1
  H  H212  1  0.429297  0.186218  0.447125  1
  H  H213  1  0.762630  0.686218  0.447125  1
  H  H214  1  0.929297  0.686218  0.447125  1
  H  H215  1  0.429297  0.686218  0.447125  1
  H  H216  1  0.595963  0.686218  0.447125  1
  H  H217  1  0.220963  0.061218  0.447125  1
  H  H218  1  0.887630  0.061218  0.447125  1
  H  H219  1  0.054297  0.061218  0.447125  1
  H  H220  1  0.554297  0.061218  0.447125  1
  H  H221  1  0.720963  0.061218  0.447125  1
  H  H222  1  0.054297  0.561218  0.447125  1
  H  H223  1  0.220963  0.561218  0.447125  1
  H  H224  1  0.387630  0.061218  0.447125  1
  H  H225  1  0.720963  0.561218  0.447125  1
  H  H226  1  0.887630  0.561218  0.447125  1
  H  H227  1  0.387630  0.561218  0.447125  1
  H  H228  1  0.554297  0.561218  0.447125  1
  H  H229  1  0.179297  0.436218  0.447125  1
  H  H230  1  0.845963  0.436218  0.447125  1
  H  H231  1  0.012630  0.436218  0.447125  1
  H  H232  1  0.512630  0.436218  0.447125  1
  H  H233  1  0.679297  0.436218  0.447125  1
  H  H234  1  0.012630  0.936218  0.447125  1
  H  H235  1  0.179297  0.936218  0.447125  1
  H  H236  1  0.345963  0.436218  0.447125  1
  H  H237  1  0.679297  0.936218  0.447125  1
  H  H238  1  0.845963  0.936218  0.447125  1
  H  H239  1  0.345963  0.936218  0.447125  1
  H  H240  1  0.512630  0.936218  0.447125  1
  H  H241  1  0.222865  0.274529  0.486583  1
  H  H242  1  0.889531  0.274529  0.486583  1
  H  H243  1  0.056198  0.274529  0.486583  1
  H  H244  1  0.556198  0.274529  0.486583  1
  H  H245  1  0.722865  0.274529  0.486583  1
  H  H246  1  0.056198  0.774529  0.486583  1
  H  H247  1  0.222865  0.774529  0.486583  1
  H  H248  1  0.389531  0.274529  0.486583  1
  H  H249  1  0.722865  0.774529  0.486583  1
  H  H250  1  0.889531  0.774529  0.486583  1
  H  H251  1  0.389531  0.774529  0.486583  1
  H  H252  1  0.556198  0.774529  0.486583  1
  H  H253  1  0.181198  0.149529  0.486583  1
  H  H254  1  0.847865  0.149529  0.486583  1
  H  H255  1  0.014531  0.149529  0.486583  1
  H  H256  1  0.514531  0.149529  0.486583  1
  H  H257  1  0.681198  0.149529  0.486583  1
  H  H258  1  0.014531  0.649529  0.486583  1
  H  H259  1  0.181198  0.649529  0.486583  1
  H  H260  1  0.347865  0.149529  0.486583  1
  H  H261  1  0.681198  0.649529  0.486583  1
  H  H262  1  0.847865  0.649529  0.486583  1
  H  H263  1  0.347865  0.649529  0.486583  1
  H  H264  1  0.514531  0.649529  0.486583  1
  H  H265  1  0.139531  0.024529  0.486583  1
  H  H266  1  0.806198  0.024529  0.486583  1
  H  H267  1  0.972865  0.024529  0.486583  1
  H  H268  1  0.472865  0.024529  0.486583  1
  H  H269  1  0.639531  0.024529  0.486583  1
  H  H270  1  0.972865  0.524529  0.486583  1
  H  H271  1  0.139531  0.524529  0.486583  1
  H  H272  1  0.306198  0.024529  0.486583  1
  H  H273  1  0.639531  0.524529  0.486583  1
  H  H274  1  0.806198  0.524529  0.486583  1
  H  H275  1  0.306198  0.524529  0.486583  1
  H  H276  1  0.472865  0.524529  0.486583  1
  H  H277  1  0.097865  0.399529  0.486583  1
  H  H278  1  0.764531  0.399529  0.486583  1
  H  H279  1  0.931198  0.399529  0.486583  1
  H  H280  1  0.431198  0.399529  0.486583  1
  H  H281  1  0.597865  0.399529  0.486583  1
  H  H282  1  0.931198  0.899529  0.486583  1
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