# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.57292259
_cell_length_b   34.33317743
_cell_length_c   47.87777113
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H360
_cell_volume   31675.0418288
_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  0.269841  0.775794  0.358586  1
  H  H2  1  0.936508  0.609127  0.358586  1
  H  H3  1  0.031746  0.799603  0.297980  1
  H  H4  1  0.269841  0.275794  0.358586  1
  H  H5  1  0.365079  0.466270  0.297980  1
  H  H6  1  0.317460  0.621032  0.328283  1
  H  H7  1  0.746032  0.478175  0.267677  1
  H  H8  1  0.698413  0.632937  0.297980  1
  H  H9  1  0.650794  0.787698  0.328283  1
  H  H10  1  0.936508  0.109127  0.358586  1
  H  H11  1  0.031746  0.299603  0.297980  1
  H  H12  1  0.984127  0.454365  0.328283  1
  H  H13  1  0.365079  0.966270  0.297980  1
  H  H14  1  0.317460  0.121032  0.328283  1
  H  H15  1  0.746032  0.978175  0.267677  1
  H  H16  1  0.698413  0.132937  0.297980  1
  H  H17  1  0.650794  0.287698  0.328283  1
  H  H18  1  0.984127  0.954365  0.328283  1
  H  H19  1  0.174603  0.710317  0.313131  1
  H  H20  1  0.841270  0.543651  0.313131  1
  H  H21  1  0.793651  0.698413  0.343434  1
  H  H22  1  0.174603  0.210317  0.313131  1
  H  H23  1  0.126984  0.365079  0.343434  1
  H  H24  1  0.222222  0.555556  0.282828  1
  H  H25  1  0.507937  0.376984  0.313131  1
  H  H26  1  0.460317  0.531746  0.343434  1
  H  H27  1  0.555556  0.722222  0.282828  1
  H  H28  1  0.841270  0.043651  0.313131  1
  H  H29  1  0.793651  0.198413  0.343434  1
  H  H30  1  0.888889  0.388889  0.282828  1
  H  H31  1  0.126984  0.865079  0.343434  1
  H  H32  1  0.222222  0.055556  0.282828  1
  H  H33  1  0.507937  0.876984  0.313131  1
  H  H34  1  0.460317  0.031746  0.343434  1
  H  H35  1  0.555556  0.222222  0.282828  1
  H  H36  1  0.888889  0.888889  0.282828  1
  H  H37  1  0.365079  0.716270  0.297980  1
  H  H38  1  0.031746  0.549603  0.297980  1
  H  H39  1  0.984127  0.704365  0.328283  1
  H  H40  1  0.365079  0.216270  0.297980  1
  H  H41  1  0.317460  0.371032  0.328283  1
  H  H42  1  0.269841  0.525794  0.358586  1
  H  H43  1  0.698413  0.382937  0.297980  1
  H  H44  1  0.650794  0.537698  0.328283  1
  H  H45  1  0.603175  0.692460  0.358586  1
  H  H46  1  0.031746  0.049603  0.297980  1
  H  H47  1  0.984127  0.204365  0.328283  1
  H  H48  1  0.936508  0.359127  0.358586  1
  H  H49  1  0.317460  0.871032  0.328283  1
  H  H50  1  0.269841  0.025794  0.358586  1
  H  H51  1  0.698413  0.882937  0.297980  1
  H  H52  1  0.650794  0.037698  0.328283  1
  H  H53  1  0.603175  0.192460  0.358586  1
  H  H54  1  0.936508  0.859127  0.358586  1
  H  H55  1  0.222222  0.805556  0.282828  1
  H  H56  1  0.888889  0.638889  0.282828  1
  H  H57  1  0.841270  0.793651  0.313131  1
  H  H58  1  0.222222  0.305556  0.282828  1
  H  H59  1  0.174603  0.460317  0.313131  1
  H  H60  1  0.126984  0.615079  0.343434  1
  H  H61  1  0.555556  0.472222  0.282828  1
  H  H62  1  0.507937  0.626984  0.313131  1
  H  H63  1  0.460317  0.781746  0.343434  1
  H  H64  1  0.888889  0.138889  0.282828  1
  H  H65  1  0.841270  0.293651  0.313131  1
  H  H66  1  0.793651  0.448413  0.343434  1
  H  H67  1  0.174603  0.960317  0.313131  1
  H  H68  1  0.126984  0.115079  0.343434  1
  H  H69  1  0.555556  0.972222  0.282828  1
  H  H70  1  0.507937  0.126984  0.313131  1
  H  H71  1  0.460317  0.281746  0.343434  1
  H  H72  1  0.793651  0.948413  0.343434  1
  H  H73  1  0.126984  0.740079  0.449495  1
  H  H74  1  0.793651  0.573413  0.449495  1
  H  H75  1  0.888889  0.763889  0.388889  1
  H  H76  1  0.126984  0.240079  0.449495  1
  H  H77  1  0.222222  0.430556  0.388889  1
  H  H78  1  0.174603  0.585317  0.419192  1
  H  H79  1  0.603175  0.442460  0.358586  1
  H  H80  1  0.555556  0.597222  0.388889  1
  H  H81  1  0.507937  0.751984  0.419192  1
  H  H82  1  0.793651  0.073413  0.449495  1
  H  H83  1  0.888889  0.263889  0.388889  1
  H  H84  1  0.841270  0.418651  0.419192  1
  H  H85  1  0.222222  0.930556  0.388889  1
  H  H86  1  0.174603  0.085317  0.419192  1
  H  H87  1  0.603175  0.942460  0.358586  1
  H  H88  1  0.555556  0.097222  0.388889  1
  H  H89  1  0.507937  0.251984  0.419192  1
  H  H90  1  0.841270  0.918651  0.419192  1
  H  H91  1  0.031746  0.674603  0.404040  1
  H  H92  1  0.698413  0.507937  0.404040  1
  H  H93  1  0.650794  0.662698  0.434343  1
  H  H94  1  0.031746  0.174603  0.404040  1
  H  H95  1  0.984127  0.329365  0.434343  1
  H  H96  1  0.079365  0.519841  0.373737  1
  H  H97  1  0.365079  0.341270  0.404040  1
  H  H98  1  0.317460  0.496032  0.434343  1
  H  H99  1  0.412698  0.686508  0.373737  1
  H  H100  1  0.698413  0.007937  0.404040  1
  H  H101  1  0.650794  0.162698  0.434343  1
  H  H102  1  0.746032  0.353175  0.373737  1
  H  H103  1  0.984127  0.829365  0.434343  1
  H  H104  1  0.079365  0.019841  0.373737  1
  H  H105  1  0.365079  0.841270  0.404040  1
  H  H106  1  0.317460  0.996032  0.434343  1
  H  H107  1  0.412698  0.186508  0.373737  1
  H  H108  1  0.746032  0.853175  0.373737  1
  H  H109  1  0.222222  0.680556  0.388889  1
  H  H110  1  0.888889  0.513889  0.388889  1
  H  H111  1  0.841270  0.668651  0.419192  1
  H  H112  1  0.222222  0.180556  0.388889  1
  H  H113  1  0.174603  0.335317  0.419192  1
  H  H114  1  0.126984  0.490079  0.449495  1
  H  H115  1  0.555556  0.347222  0.388889  1
  H  H116  1  0.507937  0.501984  0.419192  1
  H  H117  1  0.460317  0.656746  0.449495  1
  H  H118  1  0.888889  0.013889  0.388889  1
  H  H119  1  0.841270  0.168651  0.419192  1
  H  H120  1  0.793651  0.323413  0.449495  1
  H  H121  1  0.174603  0.835317  0.419192  1
  H  H122  1  0.126984  0.990079  0.449495  1
  H  H123  1  0.555556  0.847222  0.388889  1
  H  H124  1  0.507937  0.001984  0.419192  1
  H  H125  1  0.460317  0.156746  0.449495  1
  H  H126  1  0.793651  0.823413  0.449495  1
  H  H127  1  0.079365  0.769841  0.373737  1
  H  H128  1  0.746032  0.603175  0.373737  1
  H  H129  1  0.698413  0.757937  0.404040  1
  H  H130  1  0.079365  0.269841  0.373737  1
  H  H131  1  0.031746  0.424603  0.404040  1
  H  H132  1  0.984127  0.579365  0.434343  1
  H  H133  1  0.412698  0.436508  0.373737  1
  H  H134  1  0.365079  0.591270  0.404040  1
  H  H135  1  0.317460  0.746032  0.434343  1
  H  H136  1  0.746032  0.103175  0.373737  1
  H  H137  1  0.698413  0.257937  0.404040  1
  H  H138  1  0.650794  0.412698  0.434343  1
  H  H139  1  0.031746  0.924603  0.404040  1
  H  H140  1  0.984127  0.079365  0.434343  1
  H  H141  1  0.412698  0.936508  0.373737  1
  H  H142  1  0.365079  0.091270  0.404040  1
  H  H143  1  0.317460  0.246032  0.434343  1
  H  H144  1  0.650794  0.912698  0.434343  1
  H  H145  1  0.984127  0.704365  0.540404  1
  H  H146  1  0.650794  0.537698  0.540404  1
  H  H147  1  0.746032  0.728175  0.479798  1
  H  H148  1  0.984127  0.204365  0.540404  1
  H  H149  1  0.079365  0.394841  0.479798  1
  H  H150  1  0.031746  0.549603  0.510101  1
  H  H151  1  0.460317  0.406746  0.449495  1
  H  H152  1  0.412698  0.561508  0.479798  1
  H  H153  1  0.365079  0.716270  0.510101  1
  H  H154  1  0.650794  0.037698  0.540404  1
  H  H155  1  0.746032  0.228175  0.479798  1
  H  H156  1  0.698413  0.382937  0.510101  1
  H  H157  1  0.079365  0.894841  0.479798  1
  H  H158  1  0.031746  0.049603  0.510101  1
  H  H159  1  0.460317  0.906746  0.449495  1
  H  H160  1  0.412698  0.061508  0.479798  1
  H  H161  1  0.365079  0.216270  0.510101  1
  H  H162  1  0.698413  0.882937  0.510101  1
  H  H163  1  0.888889  0.638889  0.494949  1
  H  H164  1  0.555556  0.472222  0.494949  1
  H  H165  1  0.507937  0.626984  0.525253  1
  H  H166  1  0.888889  0.138889  0.494949  1
  H  H167  1  0.841270  0.293651  0.525253  1
  H  H168  1  0.936508  0.484127  0.464646  1
  H  H169  1  0.222222  0.305556  0.494949  1
  H  H170  1  0.174603  0.460317  0.525253  1
  H  H171  1  0.269841  0.650794  0.464646  1
  H  H172  1  0.555556  0.972222  0.494949  1
  H  H173  1  0.507937  0.126984  0.525253  1
  H  H174  1  0.603175  0.317460  0.464646  1
  H  H175  1  0.841270  0.793651  0.525253  1
  H  H176  1  0.936508  0.984127  0.464646  1
  H  H177  1  0.222222  0.805556  0.494949  1
  H  H178  1  0.174603  0.960317  0.525253  1
  H  H179  1  0.269841  0.150794  0.464646  1
  H  H180  1  0.603175  0.817460  0.464646  1
  H  H181  1  0.079365  0.644841  0.479798  1
  H  H182  1  0.746032  0.478175  0.479798  1
  H  H183  1  0.698413  0.632937  0.510101  1
  H  H184  1  0.079365  0.144841  0.479798  1
  H  H185  1  0.031746  0.299603  0.510101  1
  H  H186  1  0.984127  0.454365  0.540404  1
  H  H187  1  0.412698  0.311508  0.479798  1
  H  H188  1  0.365079  0.466270  0.510101  1
  H  H189  1  0.317460  0.621032  0.540404  1
  H  H190  1  0.746032  0.978175  0.479798  1
  H  H191  1  0.698413  0.132937  0.510101  1
  H  H192  1  0.650794  0.287698  0.540404  1
  H  H193  1  0.031746  0.799603  0.510101  1
  H  H194  1  0.984127  0.954365  0.540404  1
  H  H195  1  0.412698  0.811508  0.479798  1
  H  H196  1  0.365079  0.966270  0.510101  1
  H  H197  1  0.317460  0.121032  0.540404  1
  H  H198  1  0.650794  0.787698  0.540404  1
  H  H199  1  0.936508  0.734127  0.464646  1
  H  H200  1  0.603175  0.567460  0.464646  1
  H  H201  1  0.555556  0.722222  0.494949  1
  H  H202  1  0.936508  0.234127  0.464646  1
  H  H203  1  0.888889  0.388889  0.494949  1
  H  H204  1  0.841270  0.543651  0.525253  1
  H  H205  1  0.269841  0.400794  0.464646  1
  H  H206  1  0.222222  0.555556  0.494949  1
  H  H207  1  0.174603  0.710317  0.525253  1
  H  H208  1  0.603175  0.067460  0.464646  1
  H  H209  1  0.555556  0.222222  0.494949  1
  H  H210  1  0.507937  0.376984  0.525253  1
  H  H211  1  0.888889  0.888889  0.494949  1
  H  H212  1  0.841270  0.043651  0.525253  1
  H  H213  1  0.269841  0.900794  0.464646  1
  H  H214  1  0.222222  0.055556  0.494949  1
  H  H215  1  0.174603  0.210317  0.525253  1
  H  H216  1  0.507937  0.876984  0.525253  1
  H  H217  1  0.841270  0.668651  0.631313  1
  H  H218  1  0.507937  0.501984  0.631313  1
  H  H219  1  0.603175  0.692460  0.570707  1
  H  H220  1  0.841270  0.168651  0.631313  1
  H  H221  1  0.936508  0.359127  0.570707  1
  H  H222  1  0.888889  0.513889  0.601010  1
  H  H223  1  0.317460  0.371032  0.540404  1
  H  H224  1  0.269841  0.525794  0.570707  1
  H  H225  1  0.222222  0.680556  0.601010  1
  H  H226  1  0.507937  0.001984  0.631313  1
  H  H227  1  0.603175  0.192460  0.570707  1
  H  H228  1  0.555556  0.347222  0.601010  1
  H  H229  1  0.936508  0.859127  0.570707  1
  H  H230  1  0.888889  0.013889  0.601010  1
  H  H231  1  0.317460  0.871032  0.540404  1
  H  H232  1  0.269841  0.025794  0.570707  1
  H  H233  1  0.222222  0.180556  0.601010  1
  H  H234  1  0.555556  0.847222  0.601010  1
  H  H235  1  0.746032  0.603175  0.585859  1
  H  H236  1  0.412698  0.436508  0.585859  1
  H  H237  1  0.365079  0.591270  0.616162  1
  H  H238  1  0.746032  0.103175  0.585859  1
  H  H239  1  0.698413  0.257937  0.616162  1
  H  H240  1  0.793651  0.448413  0.555556  1
  H  H241  1  0.079365  0.269841  0.585859  1
  H  H242  1  0.031746  0.424603  0.616162  1
  H  H243  1  0.126984  0.615079  0.555556  1
  H  H244  1  0.412698  0.936508  0.585859  1
  H  H245  1  0.365079  0.091270  0.616162  1
  H  H246  1  0.460317  0.281746  0.555556  1
  H  H247  1  0.698413  0.757937  0.616162  1
  H  H248  1  0.793651  0.948413  0.555556  1
  H  H249  1  0.079365  0.769841  0.585859  1
  H  H250  1  0.031746  0.924603  0.616162  1
  H  H251  1  0.126984  0.115079  0.555556  1
  H  H252  1  0.460317  0.781746  0.555556  1
  H  H253  1  0.936508  0.609127  0.570707  1
  H  H254  1  0.603175  0.442460  0.570707  1
  H  H255  1  0.555556  0.597222  0.601010  1
  H  H256  1  0.936508  0.109127  0.570707  1
  H  H257  1  0.888889  0.263889  0.601010  1
  H  H258  1  0.841270  0.418651  0.631313  1
  H  H259  1  0.269841  0.275794  0.570707  1
  H  H260  1  0.222222  0.430556  0.601010  1
  H  H261  1  0.174603  0.585317  0.631313  1
  H  H262  1  0.603175  0.942460  0.570707  1
  H  H263  1  0.555556  0.097222  0.601010  1
  H  H264  1  0.507937  0.251984  0.631313  1
  H  H265  1  0.888889  0.763889  0.601010  1
  H  H266  1  0.841270  0.918651  0.631313  1
  H  H267  1  0.269841  0.775794  0.570707  1
  H  H268  1  0.222222  0.930556  0.601010  1
  H  H269  1  0.174603  0.085317  0.631313  1
  H  H270  1  0.507937  0.751984  0.631313  1
  H  H271  1  0.793651  0.698413  0.555556  1
  H  H272  1  0.460317  0.531746  0.555556  1
  H  H273  1  0.412698  0.686508  0.585859  1
  H  H274  1  0.793651  0.198413  0.555556  1
  H  H275  1  0.746032  0.353175  0.585859  1
  H  H276  1  0.698413  0.507937  0.616162  1
  H  H277  1  0.126984  0.365079  0.555556  1
  H  H278  1  0.079365  0.519841  0.585859  1
  H  H279  1  0.031746  0.674603  0.616162  1
  H  H280  1  0.460317  0.031746  0.555556  1
  H  H281  1  0.412698  0.186508  0.585859  1
  H  H282  1  0.365079  0.341270  0.616162  1
  H  H283  1  0.746032  0.853175  0.585859  1
  H  H284  1  0.698413  0.007937  0.616162  1
  H  H285  1  0.126984  0.865079  0.555556  1
  H  H286  1  0.079365  0.019841  0.585859  1
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