# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42348361
_cell_length_b   16.22733923
_cell_length_c   49.64825696
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.16953415
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H288
_cell_volume   5909.90616635
_cell_formula_units_Z   144
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  0.697563  0.785214  0.262232  1
  H  H2  1  1.030896  0.785214  0.262232  1
  H  H3  1  0.364229  0.785214  0.262232  1
  H  H4  1  0.697563  0.285214  0.262232  1
  H  H5  1  1.030896  0.285214  0.262232  1
  H  H6  1  0.364229  0.285214  0.262232  1
  H  H7  1  0.780896  0.410214  0.262232  1
  H  H8  1  0.114229  0.410214  0.262232  1
  H  H9  1  0.447563  0.410214  0.262232  1
  H  H10  1  0.780896  0.910214  0.262232  1
  H  H11  1  0.114229  0.910214  0.262232  1
  H  H12  1  0.447563  0.910214  0.262232  1
  H  H13  1  0.864229  0.535214  0.262232  1
  H  H14  1  0.197563  0.535214  0.262232  1
  H  H15  1  0.530896  0.535214  0.262232  1
  H  H16  1  0.864229  0.035214  0.262232  1
  H  H17  1  0.197563  0.035214  0.262232  1
  H  H18  1  0.530896  0.035214  0.262232  1
  H  H19  1  0.947563  0.660214  0.262232  1
  H  H20  1  0.280896  0.660214  0.262232  1
  H  H21  1  0.614229  0.660214  0.262232  1
  H  H22  1  0.947563  0.160214  0.262232  1
  H  H23  1  0.280896  0.160214  0.262232  1
  H  H24  1  0.614229  0.160214  0.262232  1
  H  H25  1  0.529537  0.746592  0.300252  1
  H  H26  1  0.862871  0.746592  0.300252  1
  H  H27  1  0.196204  0.746592  0.300252  1
  H  H28  1  0.529537  0.246592  0.300252  1
  H  H29  1  0.862871  0.246592  0.300252  1
  H  H30  1  0.196204  0.246592  0.300252  1
  H  H31  1  0.612871  0.371592  0.300252  1
  H  H32  1  0.946204  0.371592  0.300252  1
  H  H33  1  0.279537  0.371592  0.300252  1
  H  H34  1  0.612871  0.871592  0.300252  1
  H  H35  1  0.946204  0.871592  0.300252  1
  H  H36  1  0.279537  0.871592  0.300252  1
  H  H37  1  0.696204  0.496592  0.300252  1
  H  H38  1  1.029537  0.496592  0.300252  1
  H  H39  1  0.362871  0.496592  0.300252  1
  H  H40  1  0.696204  -0.003408  0.300252  1
  H  H41  1  1.029537  -0.003408  0.300252  1
  H  H42  1  0.362871  -0.003408  0.300252  1
  H  H43  1  0.779537  0.621592  0.300252  1
  H  H44  1  0.112871  0.621592  0.300252  1
  H  H45  1  0.446204  0.621592  0.300252  1
  H  H46  1  0.779537  0.121592  0.300252  1
  H  H47  1  0.112871  0.121592  0.300252  1
  H  H48  1  0.446204  0.121592  0.300252  1
  H  H49  1  0.361806  0.709705  0.337749  1
  H  H50  1  0.695139  0.709705  0.337749  1
  H  H51  1  1.028473  0.709705  0.337749  1
  H  H52  1  0.361806  0.209705  0.337749  1
  H  H53  1  0.695139  0.209705  0.337749  1
  H  H54  1  1.028473  0.209705  0.337749  1
  H  H55  1  0.445139  0.334705  0.337749  1
  H  H56  1  0.778473  0.334705  0.337749  1
  H  H57  1  0.111806  0.334705  0.337749  1
  H  H58  1  0.445139  0.834705  0.337749  1
  H  H59  1  0.778473  0.834705  0.337749  1
  H  H60  1  0.111806  0.834705  0.337749  1
  H  H61  1  0.528473  0.459705  0.337749  1
  H  H62  1  0.861806  0.459705  0.337749  1
  H  H63  1  0.195139  0.459705  0.337749  1
  H  H64  1  0.528473  0.959705  0.337749  1
  H  H65  1  0.861806  0.959705  0.337749  1
  H  H66  1  0.195139  0.959705  0.337749  1
  H  H67  1  0.611806  0.584705  0.337749  1
  H  H68  1  0.945139  0.584705  0.337749  1
  H  H69  1  0.278473  0.584705  0.337749  1
  H  H70  1  0.611806  0.084705  0.337749  1
  H  H71  1  0.945139  0.084705  0.337749  1
  H  H72  1  0.278473  0.084705  0.337749  1
  H  H73  1  0.193831  0.671827  0.375400  1
  H  H74  1  0.527165  0.671827  0.375400  1
  H  H75  1  0.860498  0.671827  0.375400  1
  H  H76  1  0.193831  0.171827  0.375400  1
  H  H77  1  0.527165  0.171827  0.375400  1
  H  H78  1  0.860498  0.171827  0.375400  1
  H  H79  1  0.277165  0.296827  0.375400  1
  H  H80  1  0.610498  0.296827  0.375400  1
  H  H81  1  0.943831  0.296827  0.375400  1
  H  H82  1  0.277165  0.796827  0.375400  1
  H  H83  1  0.610498  0.796827  0.375400  1
  H  H84  1  0.943831  0.796827  0.375400  1
  H  H85  1  0.360498  0.421827  0.375400  1
  H  H86  1  0.693831  0.421827  0.375400  1
  H  H87  1  1.027165  0.421827  0.375400  1
  H  H88  1  0.360498  0.921827  0.375400  1
  H  H89  1  0.693831  0.921827  0.375400  1
  H  H90  1  1.027165  0.921827  0.375400  1
  H  H91  1  0.443831  0.546827  0.375400  1
  H  H92  1  0.777165  0.546827  0.375400  1
  H  H93  1  0.110498  0.546827  0.375400  1
  H  H94  1  0.443831  0.046827  0.375400  1
  H  H95  1  0.777165  0.046827  0.375400  1
  H  H96  1  0.110498  0.046827  0.375400  1
  H  H97  1  1.025908  0.634375  0.413055  1
  H  H98  1  0.359242  0.634375  0.413055  1
  H  H99  1  0.692575  0.634375  0.413055  1
  H  H100  1  1.025908  0.134375  0.413055  1
  H  H101  1  0.359242  0.134375  0.413055  1
  H  H102  1  0.692575  0.134375  0.413055  1
  H  H103  1  0.109242  0.259375  0.413055  1
  H  H104  1  0.442575  0.259375  0.413055  1
  H  H105  1  0.775908  0.259375  0.413055  1
  H  H106  1  0.109242  0.759375  0.413055  1
  H  H107  1  0.442575  0.759375  0.413055  1
  H  H108  1  0.775908  0.759375  0.413055  1
  H  H109  1  0.192575  0.384375  0.413055  1
  H  H110  1  0.525908  0.384375  0.413055  1
  H  H111  1  0.859242  0.384375  0.413055  1
  H  H112  1  0.192575  0.884375  0.413055  1
  H  H113  1  0.525908  0.884375  0.413055  1
  H  H114  1  0.859242  0.884375  0.413055  1
  H  H115  1  0.275908  0.509375  0.413055  1
  H  H116  1  0.609242  0.509375  0.413055  1
  H  H117  1  0.942575  0.509375  0.413055  1
  H  H118  1  0.275908  0.009375  0.413055  1
  H  H119  1  0.609242  0.009375  0.413055  1
  H  H120  1  0.942575  0.009375  0.413055  1
  H  H121  1  0.857958  0.596790  0.450713  1
  H  H122  1  0.191291  0.596790  0.450713  1
  H  H123  1  0.524624  0.596790  0.450713  1
  H  H124  1  0.857958  0.096790  0.450713  1
  H  H125  1  0.191291  0.096790  0.450713  1
  H  H126  1  0.524624  0.096790  0.450713  1
  H  H127  1  0.941291  0.221790  0.450713  1
  H  H128  1  0.274624  0.221790  0.450713  1
  H  H129  1  0.607958  0.221790  0.450713  1
  H  H130  1  0.941291  0.721790  0.450713  1
  H  H131  1  0.274624  0.721790  0.450713  1
  H  H132  1  0.607958  0.721790  0.450713  1
  H  H133  1  1.024624  0.346790  0.450713  1
  H  H134  1  0.357958  0.346790  0.450713  1
  H  H135  1  0.691291  0.346790  0.450713  1
  H  H136  1  1.024624  0.846790  0.450713  1
  H  H137  1  0.357958  0.846790  0.450713  1
  H  H138  1  0.691291  0.846790  0.450713  1
  H  H139  1  0.107958  0.471790  0.450713  1
  H  H140  1  0.441291  0.471790  0.450713  1
  H  H141  1  0.774624  0.471790  0.450713  1
  H  H142  1  0.107958  0.971790  0.450713  1
  H  H143  1  0.441291  0.971790  0.450713  1
  H  H144  1  0.774624  0.971790  0.450713  1
  H  H145  1  0.690018  0.559260  0.488369  1
  H  H146  1  1.023351  0.559260  0.488369  1
  H  H147  1  0.356685  0.559260  0.488369  1
  H  H148  1  0.690018  0.059260  0.488369  1
  H  H149  1  1.023351  0.059260  0.488369  1
  H  H150  1  0.356685  0.059260  0.488369  1
  H  H151  1  0.773351  0.184260  0.488369  1
  H  H152  1  0.106685  0.184260  0.488369  1
  H  H153  1  0.440018  0.184260  0.488369  1
  H  H154  1  0.773351  0.684260  0.488369  1
  H  H155  1  0.106685  0.684260  0.488369  1
  H  H156  1  0.440018  0.684260  0.488369  1
  H  H157  1  0.856685  0.309260  0.488369  1
  H  H158  1  0.190018  0.309260  0.488369  1
  H  H159  1  0.523351  0.309260  0.488369  1
  H  H160  1  0.856685  0.809260  0.488369  1
  H  H161  1  0.190018  0.809260  0.488369  1
  H  H162  1  0.523351  0.809260  0.488369  1
  H  H163  1  0.940018  0.434260  0.488369  1
  H  H164  1  0.273351  0.434260  0.488369  1
  H  H165  1  0.606685  0.434260  0.488369  1
  H  H166  1  0.940018  0.934260  0.488369  1
  H  H167  1  0.273351  0.934260  0.488369  1
  H  H168  1  0.606685  0.934260  0.488369  1
  H  H169  1  0.522067  0.521674  0.526027  1
  H  H170  1  0.855401  0.521674  0.526027  1
  H  H171  1  0.188734  0.521674  0.526027  1
  H  H172  1  0.522067  0.021674  0.526027  1
  H  H173  1  0.855401  0.021674  0.526027  1
  H  H174  1  0.188734  0.021674  0.526027  1
  H  H175  1  0.605401  0.146674  0.526027  1
  H  H176  1  0.938734  0.146674  0.526027  1
  H  H177  1  0.272067  0.146674  0.526027  1
  H  H178  1  0.605401  0.646674  0.526027  1
  H  H179  1  0.938734  0.646674  0.526027  1
  H  H180  1  0.272067  0.646674  0.526027  1
  H  H181  1  0.688734  0.271674  0.526027  1
  H  H182  1  1.022067  0.271674  0.526027  1
  H  H183  1  0.355401  0.271674  0.526027  1
  H  H184  1  0.688734  0.771674  0.526027  1
  H  H185  1  1.022067  0.771674  0.526027  1
  H  H186  1  0.355401  0.771674  0.526027  1
  H  H187  1  0.772067  0.396674  0.526027  1
  H  H188  1  0.105401  0.396674  0.526027  1
  H  H189  1  0.438734  0.396674  0.526027  1
  H  H190  1  0.772067  0.896674  0.526027  1
  H  H191  1  0.105401  0.896674  0.526027  1
  H  H192  1  0.438734  0.896674  0.526027  1
  H  H193  1  0.354144  0.484222  0.563682  1
  H  H194  1  0.687478  0.484222  0.563682  1
  H  H195  1  1.020811  0.484222  0.563682  1
  H  H196  1  0.354144  0.984222  0.563682  1
  H  H197  1  0.687478  0.984222  0.563682  1
  H  H198  1  1.020811  0.984222  0.563682  1
  H  H199  1  0.437478  0.109222  0.563682  1
  H  H200  1  0.770811  0.109222  0.563682  1
  H  H201  1  0.104144  0.109222  0.563682  1
  H  H202  1  0.437478  0.609222  0.563682  1
  H  H203  1  0.770811  0.609222  0.563682  1
  H  H204  1  0.104144  0.609222  0.563682  1
  H  H205  1  0.520811  0.234222  0.563682  1
  H  H206  1  0.854144  0.234222  0.563682  1
  H  H207  1  0.187478  0.234222  0.563682  1
  H  H208  1  0.520811  0.734222  0.563682  1
  H  H209  1  0.854144  0.734222  0.563682  1
  H  H210  1  0.187478  0.734222  0.563682  1
  H  H211  1  0.604144  0.359222  0.563682  1
  H  H212  1  0.937478  0.359222  0.563682  1
  H  H213  1  0.270811  0.359222  0.563682  1
  H  H214  1  0.604144  0.859222  0.563682  1
  H  H215  1  0.937478  0.859222  0.563682  1
  H  H216  1  0.270811  0.859222  0.563682  1
  H  H217  1  0.186170  0.446345  0.601333  1
  H  H218  1  0.519503  0.446345  0.601333  1
  H  H219  1  0.852836  0.446345  0.601333  1
  H  H220  1  0.186170  0.946345  0.601333  1
  H  H221  1  0.519503  0.946345  0.601333  1
  H  H222  1  0.852836  0.946345  0.601333  1
  H  H223  1  0.269503  0.071345  0.601333  1
  H  H224  1  0.602836  0.071345  0.601333  1
  H  H225  1  0.936170  0.071345  0.601333  1
  H  H226  1  0.269503  0.571345  0.601333  1
  H  H227  1  0.602836  0.571345  0.601333  1
  H  H228  1  0.936170  0.571345  0.601333  1
  H  H229  1  0.352836  0.196345  0.601333  1
  H  H230  1  0.686170  0.196345  0.601333  1
  H  H231  1  1.019503  0.196345  0.601333  1
  H  H232  1  0.352836  0.696345  0.601333  1
  H  H233  1  0.686170  0.696345  0.601333  1
  H  H234  1  1.019503  0.696345  0.601333  1
  H  H235  1  0.436170  0.321345  0.601333  1
  H  H236  1  0.769503  0.321345  0.601333  1
  H  H237  1  0.102836  0.321345  0.601333  1
  H  H238  1  0.436170  0.821345  0.601333  1
  H  H239  1  0.769503  0.821345  0.601333  1
  H  H240  1  0.102836  0.821345  0.601333  1
  H  H241  1  1.018438  0.409457  0.638830  1
  H  H242  1  0.351772  0.409457  0.638830  1
  H  H243  1  0.685105  0.409457  0.638830  1
  H  H244  1  1.018438  0.909457  0.638830  1
  H  H245  1  0.351772  0.909457  0.638830  1
  H  H246  1  0.685105  0.909457  0.638830  1
  H  H247  1  0.101772  0.034457  0.638830  1
  H  H248  1  0.435105  0.034457  0.638830  1
  H  H249  1  0.768438  0.034457  0.638830  1
  H  H250  1  0.101772  0.534457  0.638830  1
  H  H251  1  0.435105  0.534457  0.638830  1
  H  H252  1  0.768438  0.534457  0.638830  1
  H  H253  1  0.185105  0.159457  0.638830  1
  H  H254  1  0.518438  0.159457  0.638830  1
  H  H255  1  0.851772  0.159457  0.638830  1
  H  H256  1  0.185105  0.659457  0.638830  1
  H  H257  1  0.518438  0.659457  0.638830  1
  H  H258  1  0.851772  0.659457  0.638830  1
  H  H259  1  0.268438  0.284457  0.638830  1
  H  H260  1  0.601772  0.284457  0.638830  1
  H  H261  1  0.935105  0.284457  0.638830  1
  H  H262  1  0.268438  0.784457  0.638830  1
  H  H263  1  0.601772  0.784457  0.638830  1
  H  H264  1  0.935105  0.784457  0.638830  1
  H  H265  1  0.850413  0.370835  0.676851  1
  H  H266  1  0.183746  0.370835  0.676851  1
  H  H267  1  0.517079  0.370835  0.676851  1
  H  H268  1  0.850413  0.870835  0.676851  1
  H  H269  1  0.183746  0.870835  0.676851  1
  H  H270  1  0.517079  0.870835  0.676851  1
  H  H271  1  0.933746  -0.004165  0.676851  1
  H  H272  1  0.267079  -0.004165  0.676851  1
  H  H273  1  0.600413  -0.004165  0.676851  1
  H  H274  1  0.933746  0.495835  0.676851  1
  H  H275  1  0.267079  0.495835  0.676851  1
  H  H276  1  0.600413  0.495835  0.676851  1
  H  H277  1  1.017079  0.120835  0.676851  1
  H  H278  1  0.350413  0.120835  0.676851  1
  H  H279  1  0.683746  0.120835  0.676851  1
  H  H280  1  1.017079  0.620835  0.676851  1
  H  H281  1  0.350413  0.620835  0.676851  1
  H  H282  1  0.683746  0.620835  0.676851  1
  H  H283  1  0.100413  0.245835  0.676851  1
  H  H284  1  0.433746  0.245835  0.676851  1
  H  H285  1  0.767079  0.245835  0.676851  1
  H  H286  1  0.100413  0.745835  0.676851  1
  H  H287  1  0.433746  0.745835  0.676851  1
  H  H288  1  0.767079  0.745835  0.676851  1
