# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   26.66248507
_cell_length_b   17.17803207
_cell_length_c   47.82282331
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   21903.2846148
_cell_formula_units_Z   108
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  0.111111  0.467798  0.339286  1
  H  H2  1  0.111111  0.735475  0.291667  1
  H  H3  1  0.277778  0.601636  0.315476  1
  H  H4  1  0.444444  0.467798  0.339286  1
  H  H5  1  0.111111  0.101636  0.315476  1
  H  H6  1  0.277778  0.967798  0.339286  1
  H  H7  1  0.444444  0.735475  0.291667  1
  H  H8  1  0.611111  0.601636  0.315476  1
  H  H9  1  0.777778  0.467798  0.339286  1
  H  H10  1  0.277778  0.235475  0.291667  1
  H  H11  1  0.444444  0.101636  0.315476  1
  H  H12  1  0.611111  0.967798  0.339286  1
  H  H13  1  0.777778  0.735475  0.291667  1
  H  H14  1  0.944444  0.601636  0.315476  1
  H  H15  1  0.611111  0.235475  0.291667  1
  H  H16  1  0.777778  0.101636  0.315476  1
  H  H17  1  0.944444  0.967798  0.339286  1
  H  H18  1  0.944444  0.235475  0.291667  1
  H  H19  1  0.055556  0.650878  0.351190  1
  H  H20  1  0.055556  0.918556  0.303571  1
  H  H21  1  0.222222  0.784717  0.327381  1
  H  H22  1  0.388889  0.650878  0.351190  1
  H  H23  1  0.055556  0.284717  0.327381  1
  H  H24  1  0.222222  0.150878  0.351190  1
  H  H25  1  0.388889  0.918556  0.303571  1
  H  H26  1  0.555556  0.784717  0.327381  1
  H  H27  1  0.722222  0.650878  0.351190  1
  H  H28  1  0.222222  0.418556  0.303571  1
  H  H29  1  0.388889  0.284717  0.327381  1
  H  H30  1  0.555556  0.150878  0.351190  1
  H  H31  1  0.722222  0.918556  0.303571  1
  H  H32  1  0.888889  0.784717  0.327381  1
  H  H33  1  0.555556  0.418556  0.303571  1
  H  H34  1  0.722222  0.284717  0.327381  1
  H  H35  1  0.888889  0.150878  0.351190  1
  H  H36  1  0.888889  0.418556  0.303571  1
  H  H37  1  0.111111  0.566281  0.410714  1
  H  H38  1  0.111111  0.833959  0.363095  1
  H  H39  1  0.277778  0.700120  0.386905  1
  H  H40  1  0.444444  0.566281  0.410714  1
  H  H41  1  0.111111  0.200120  0.386905  1
  H  H42  1  0.277778  0.066281  0.410714  1
  H  H43  1  0.444444  0.833959  0.363095  1
  H  H44  1  0.611111  0.700120  0.386905  1
  H  H45  1  0.777778  0.566281  0.410714  1
  H  H46  1  0.277778  0.333959  0.363095  1
  H  H47  1  0.444444  0.200120  0.386905  1
  H  H48  1  0.611111  0.066281  0.410714  1
  H  H49  1  0.777778  0.833959  0.363095  1
  H  H50  1  0.944444  0.700120  0.386905  1
  H  H51  1  0.611111  0.333959  0.363095  1
  H  H52  1  0.777778  0.200120  0.386905  1
  H  H53  1  0.944444  0.066281  0.410714  1
  H  H54  1  0.944444  0.333959  0.363095  1
  H  H55  1  0.055556  0.749362  0.422619  1
  H  H56  1  0.055556  0.017039  0.375000  1
  H  H57  1  0.222222  0.883201  0.398810  1
  H  H58  1  0.388889  0.749362  0.422619  1
  H  H59  1  0.055556  0.383201  0.398810  1
  H  H60  1  0.222222  0.249362  0.422619  1
  H  H61  1  0.388889  0.017039  0.375000  1
  H  H62  1  0.555556  0.883201  0.398810  1
  H  H63  1  0.722222  0.749362  0.422619  1
  H  H64  1  0.222222  0.517039  0.375000  1
  H  H65  1  0.388889  0.383201  0.398810  1
  H  H66  1  0.555556  0.249362  0.422619  1
  H  H67  1  0.722222  0.017039  0.375000  1
  H  H68  1  0.888889  0.883201  0.398810  1
  H  H69  1  0.555556  0.517039  0.375000  1
  H  H70  1  0.722222  0.383201  0.398810  1
  H  H71  1  0.888889  0.249362  0.422619  1
  H  H72  1  0.888889  0.517039  0.375000  1
  H  H73  1  0.111111  0.664765  0.482143  1
  H  H74  1  0.111111  0.932443  0.434524  1
  H  H75  1  0.277778  0.798604  0.458333  1
  H  H76  1  0.444444  0.664765  0.482143  1
  H  H77  1  0.111111  0.298604  0.458333  1
  H  H78  1  0.277778  0.164765  0.482143  1
  H  H79  1  0.444444  0.932443  0.434524  1
  H  H80  1  0.611111  0.798604  0.458333  1
  H  H81  1  0.777778  0.664765  0.482143  1
  H  H82  1  0.277778  0.432443  0.434524  1
  H  H83  1  0.444444  0.298604  0.458333  1
  H  H84  1  0.611111  0.164765  0.482143  1
  H  H85  1  0.777778  0.932443  0.434524  1
  H  H86  1  0.944444  0.798604  0.458333  1
  H  H87  1  0.611111  0.432443  0.434524  1
  H  H88  1  0.777778  0.298604  0.458333  1
  H  H89  1  0.944444  0.164765  0.482143  1
  H  H90  1  0.944444  0.432443  0.434524  1
  H  H91  1  0.055556  0.847846  0.494048  1
  H  H92  1  0.055556  0.115523  0.446429  1
  H  H93  1  0.222222  0.981684  0.470238  1
  H  H94  1  0.388889  0.847846  0.494048  1
  H  H95  1  0.055556  0.481684  0.470238  1
  H  H96  1  0.222222  0.347846  0.494048  1
  H  H97  1  0.388889  0.115523  0.446429  1
  H  H98  1  0.555556  0.981684  0.470238  1
  H  H99  1  0.722222  0.847846  0.494048  1
  H  H100  1  0.222222  0.615523  0.446429  1
  H  H101  1  0.388889  0.481684  0.470238  1
  H  H102  1  0.555556  0.347846  0.494048  1
  H  H103  1  0.722222  0.115523  0.446429  1
  H  H104  1  0.888889  0.981684  0.470238  1
  H  H105  1  0.555556  0.615523  0.446429  1
  H  H106  1  0.722222  0.481684  0.470238  1
  H  H107  1  0.888889  0.347846  0.494048  1
  H  H108  1  0.888889  0.615523  0.446429  1
  H  H109  1  0.111111  0.763249  0.553571  1
  H  H110  1  0.111111  0.030926  0.505952  1
  H  H111  1  0.277778  0.897087  0.529762  1
  H  H112  1  0.444444  0.763249  0.553571  1
  H  H113  1  0.111111  0.397087  0.529762  1
  H  H114  1  0.277778  0.263249  0.553571  1
  H  H115  1  0.444444  0.030926  0.505952  1
  H  H116  1  0.611111  0.897087  0.529762  1
  H  H117  1  0.777778  0.763249  0.553571  1
  H  H118  1  0.277778  0.530926  0.505952  1
  H  H119  1  0.444444  0.397087  0.529762  1
  H  H120  1  0.611111  0.263249  0.553571  1
  H  H121  1  0.777778  0.030926  0.505952  1
  H  H122  1  0.944444  0.897087  0.529762  1
  H  H123  1  0.611111  0.530926  0.505952  1
  H  H124  1  0.777778  0.397087  0.529762  1
  H  H125  1  0.944444  0.263249  0.553571  1
  H  H126  1  0.944444  0.530926  0.505952  1
  H  H127  1  0.055556  0.946329  0.565476  1
  H  H128  1  0.055556  0.214007  0.517857  1
  H  H129  1  0.222222  0.080168  0.541667  1
  H  H130  1  0.388889  0.946329  0.565476  1
  H  H131  1  0.055556  0.580168  0.541667  1
  H  H132  1  0.222222  0.446329  0.565476  1
  H  H133  1  0.388889  0.214007  0.517857  1
  H  H134  1  0.555556  0.080168  0.541667  1
  H  H135  1  0.722222  0.946329  0.565476  1
  H  H136  1  0.222222  0.714007  0.517857  1
  H  H137  1  0.388889  0.580168  0.541667  1
  H  H138  1  0.555556  0.446329  0.565476  1
  H  H139  1  0.722222  0.214007  0.517857  1
  H  H140  1  0.888889  0.080168  0.541667  1
  H  H141  1  0.555556  0.714007  0.517857  1
  H  H142  1  0.722222  0.580168  0.541667  1
  H  H143  1  0.888889  0.446329  0.565476  1
  H  H144  1  0.888889  0.714007  0.517857  1
  H  H145  1  0.111111  0.861732  0.625000  1
  H  H146  1  0.111111  0.129410  0.577381  1
  H  H147  1  0.277778  0.995571  0.601190  1
  H  H148  1  0.444444  0.861732  0.625000  1
  H  H149  1  0.111111  0.495571  0.601190  1
  H  H150  1  0.277778  0.361732  0.625000  1
  H  H151  1  0.444444  0.129410  0.577381  1
  H  H152  1  0.611111  0.995571  0.601190  1
  H  H153  1  0.777778  0.861732  0.625000  1
  H  H154  1  0.277778  0.629410  0.577381  1
  H  H155  1  0.444444  0.495571  0.601190  1
  H  H156  1  0.611111  0.361732  0.625000  1
  H  H157  1  0.777778  0.129410  0.577381  1
  H  H158  1  0.944444  0.995571  0.601190  1
  H  H159  1  0.611111  0.629410  0.577381  1
  H  H160  1  0.777778  0.495571  0.601190  1
  H  H161  1  0.944444  0.361732  0.625000  1
  H  H162  1  0.944444  0.629410  0.577381  1
  H  H163  1  0.055556  0.044813  0.636905  1
  H  H164  1  0.055556  0.312491  0.589286  1
  H  H165  1  0.222222  0.178652  0.613095  1
  H  H166  1  0.388889  0.044813  0.636905  1
  H  H167  1  0.055556  0.678652  0.613095  1
  H  H168  1  0.222222  0.544813  0.636905  1
  H  H169  1  0.388889  0.312491  0.589286  1
  H  H170  1  0.555556  0.178652  0.613095  1
  H  H171  1  0.722222  0.044813  0.636905  1
  H  H172  1  0.222222  0.812491  0.589286  1
  H  H173  1  0.388889  0.678652  0.613095  1
  H  H174  1  0.555556  0.544813  0.636905  1
  H  H175  1  0.722222  0.312491  0.589286  1
  H  H176  1  0.888889  0.178652  0.613095  1
  H  H177  1  0.555556  0.812491  0.589286  1
  H  H178  1  0.722222  0.678652  0.613095  1
  H  H179  1  0.888889  0.544813  0.636905  1
  H  H180  1  0.888889  0.812491  0.589286  1
  H  H181  1  0.111111  0.960216  0.696429  1
  H  H182  1  0.111111  0.227894  0.648810  1
  H  H183  1  0.277778  0.094055  0.672619  1
  H  H184  1  0.444444  0.960216  0.696429  1
  H  H185  1  0.111111  0.594055  0.672619  1
  H  H186  1  0.277778  0.460216  0.696429  1
  H  H187  1  0.444444  0.227894  0.648810  1
  H  H188  1  0.611111  0.094055  0.672619  1
  H  H189  1  0.777778  0.960216  0.696429  1
  H  H190  1  0.277778  0.727894  0.648810  1
  H  H191  1  0.444444  0.594055  0.672619  1
  H  H192  1  0.611111  0.460216  0.696429  1
  H  H193  1  0.777778  0.227894  0.648810  1
  H  H194  1  0.944444  0.094055  0.672619  1
  H  H195  1  0.611111  0.727894  0.648810  1
  H  H196  1  0.777778  0.594055  0.672619  1
  H  H197  1  0.944444  0.460216  0.696429  1
  H  H198  1  0.944444  0.727894  0.648810  1
  H  H199  1  0.055556  0.143297  0.708333  1
  H  H200  1  0.055556  0.410974  0.660714  1
  H  H201  1  0.222222  0.277135  0.684524  1
  H  H202  1  0.388889  0.143297  0.708333  1
  H  H203  1  0.055556  0.777135  0.684524  1
  H  H204  1  0.222222  0.643297  0.708333  1
  H  H205  1  0.388889  0.410974  0.660714  1
  H  H206  1  0.555556  0.277135  0.684524  1
  H  H207  1  0.722222  0.143297  0.708333  1
  H  H208  1  0.222222  0.910974  0.660714  1
  H  H209  1  0.388889  0.777135  0.684524  1
  H  H210  1  0.555556  0.643297  0.708333  1
  H  H211  1  0.722222  0.410974  0.660714  1
  H  H212  1  0.888889  0.277135  0.684524  1
  H  H213  1  0.555556  0.910974  0.660714  1
  H  H214  1  0.722222  0.777135  0.684524  1
  H  H215  1  0.888889  0.643297  0.708333  1
  H  H216  1  0.888889  0.910974  0.660714  1
