# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.24498255
_cell_length_b   10.24455648
_cell_length_c   47.77756109
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H252
_cell_volume   4989.37283302
_cell_formula_units_Z   126
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  0.952480  0.452773  0.277174  1
  H  H2  1  0.285813  0.119440  0.277174  1
  H  H3  1  0.251000  0.417959  0.299089  1
  H  H4  1  0.619146  0.786107  0.277174  1
  H  H5  1  0.584333  0.084626  0.299089  1
  H  H6  1  0.549861  0.383489  0.321099  1
  H  H7  1  0.917667  0.751293  0.299089  1
  H  H8  1  0.883194  0.050155  0.321099  1
  H  H9  1  0.216527  0.716822  0.321099  1
  H  H10  1  0.119146  0.286107  0.277174  1
  H  H11  1  0.452480  0.952773  0.277174  1
  H  H12  1  0.417667  0.251293  0.299089  1
  H  H13  1  0.785813  0.619440  0.277174  1
  H  H14  1  0.751000  0.917959  0.299089  1
  H  H15  1  0.716527  0.216822  0.321099  1
  H  H16  1  0.084333  0.584626  0.299089  1
  H  H17  1  0.049861  0.883489  0.321099  1
  H  H18  1  0.383194  0.550155  0.321099  1
  H  H19  1  0.917667  0.251293  0.299089  1
  H  H20  1  0.251000  0.917959  0.299089  1
  H  H21  1  0.216527  0.216822  0.321099  1
  H  H22  1  0.584333  0.584626  0.299089  1
  H  H23  1  0.549861  0.883489  0.321099  1
  H  H24  1  0.619146  0.286107  0.277174  1
  H  H25  1  0.883194  0.550155  0.321099  1
  H  H26  1  0.952480  0.952773  0.277174  1
  H  H27  1  0.285813  0.619440  0.277174  1
  H  H28  1  0.049861  0.383489  0.321099  1
  H  H29  1  0.383194  0.050155  0.321099  1
  H  H30  1  0.452480  0.452773  0.277174  1
  H  H31  1  0.716527  0.716822  0.321099  1
  H  H32  1  0.785813  0.119440  0.277174  1
  H  H33  1  0.751000  0.417959  0.299089  1
  H  H34  1  0.119146  0.786107  0.277174  1
  H  H35  1  0.084333  0.084626  0.299089  1
  H  H36  1  0.417667  0.751293  0.299089  1
  H  H37  1  0.848910  0.349205  0.342316  1
  H  H38  1  0.182243  0.015872  0.342316  1
  H  H39  1  0.147985  0.314948  0.363962  1
  H  H40  1  0.515577  0.682539  0.342316  1
  H  H41  1  0.481318  0.981615  0.363962  1
  H  H42  1  0.446994  0.280625  0.385473  1
  H  H43  1  0.814651  0.648282  0.363962  1
  H  H44  1  0.780327  0.947292  0.385473  1
  H  H45  1  0.113661  0.613959  0.385473  1
  H  H46  1  0.015577  0.182539  0.342316  1
  H  H47  1  0.348910  0.849205  0.342316  1
  H  H48  1  0.314651  0.148282  0.363962  1
  H  H49  1  0.682243  0.515872  0.342316  1
  H  H50  1  0.647985  0.814948  0.363962  1
  H  H51  1  0.613661  0.113959  0.385473  1
  H  H52  1  0.981318  0.481615  0.363962  1
  H  H53  1  0.946994  0.780625  0.385473  1
  H  H54  1  0.280327  0.447292  0.385473  1
  H  H55  1  0.814651  0.148282  0.363962  1
  H  H56  1  0.147985  0.814948  0.363962  1
  H  H57  1  0.113661  0.113959  0.385473  1
  H  H58  1  0.481318  0.481615  0.363962  1
  H  H59  1  0.446994  0.780625  0.385473  1
  H  H60  1  0.515577  0.182539  0.342316  1
  H  H61  1  0.780327  0.447292  0.385473  1
  H  H62  1  0.848910  0.849205  0.342316  1
  H  H63  1  0.182243  0.515872  0.342316  1
  H  H64  1  0.946994  0.280625  0.385473  1
  H  H65  1  0.280327  0.947292  0.385473  1
  H  H66  1  0.348910  0.349205  0.342316  1
  H  H67  1  0.613661  0.613959  0.385473  1
  H  H68  1  0.682243  0.015872  0.342316  1
  H  H69  1  0.647985  0.314948  0.363962  1
  H  H70  1  0.015577  0.682539  0.342316  1
  H  H71  1  0.981318  0.981615  0.363962  1
  H  H72  1  0.314651  0.648282  0.363962  1
  H  H73  1  0.745985  0.246284  0.407097  1
  H  H74  1  0.079319  0.912951  0.407097  1
  H  H75  1  0.044969  0.211936  0.428669  1
  H  H76  1  0.412652  0.579618  0.407097  1
  H  H77  1  0.378303  0.878603  0.428669  1
  H  H78  1  0.343954  0.177589  0.450268  1
  H  H79  1  0.711636  0.545269  0.428669  1
  H  H80  1  0.677288  0.844256  0.450268  1
  H  H81  1  0.010621  0.510922  0.450268  1
  H  H82  1  0.912652  0.079618  0.407097  1
  H  H83  1  0.245985  0.746284  0.407097  1
  H  H84  1  0.211636  0.045269  0.428669  1
  H  H85  1  0.579319  0.412951  0.407097  1
  H  H86  1  0.544969  0.711936  0.428669  1
  H  H87  1  0.510621  0.010922  0.450268  1
  H  H88  1  0.878303  0.378603  0.428669  1
  H  H89  1  0.843954  0.677589  0.450268  1
  H  H90  1  0.177288  0.344256  0.450268  1
  H  H91  1  0.711636  0.045269  0.428669  1
  H  H92  1  0.044969  0.711936  0.428669  1
  H  H93  1  0.010621  0.010922  0.450268  1
  H  H94  1  0.378303  0.378603  0.428669  1
  H  H95  1  0.343954  0.677589  0.450268  1
  H  H96  1  0.412652  0.079618  0.407097  1
  H  H97  1  0.677288  0.344256  0.450268  1
  H  H98  1  0.745985  0.746284  0.407097  1
  H  H99  1  0.079319  0.412951  0.407097  1
  H  H100  1  0.843954  0.177589  0.450268  1
  H  H101  1  0.177288  0.844256  0.450268  1
  H  H102  1  0.245985  0.246284  0.407097  1
  H  H103  1  0.510621  0.510922  0.450268  1
  H  H104  1  0.579319  0.912951  0.407097  1
  H  H105  1  0.544969  0.211936  0.428669  1
  H  H106  1  0.912652  0.579618  0.407097  1
  H  H107  1  0.878303  0.878603  0.428669  1
  H  H108  1  0.211636  0.545269  0.428669  1
  H  H109  1  0.642939  0.143241  0.471854  1
  H  H110  1  0.976273  0.809908  0.471854  1
  H  H111  1  0.941924  0.108894  0.493445  1
  H  H112  1  0.309606  0.476575  0.471854  1
  H  H113  1  0.275258  0.775561  0.493445  1
  H  H114  1  0.240910  0.074547  0.515036  1
  H  H115  1  0.608591  0.442228  0.493445  1
  H  H116  1  0.574243  0.741214  0.515036  1
  H  H117  1  0.907576  0.407881  0.515036  1
  H  H118  1  0.809606  0.976575  0.471854  1
  H  H119  1  0.142939  0.643241  0.471854  1
  H  H120  1  0.108591  0.942228  0.493445  1
  H  H121  1  0.476273  0.309908  0.471854  1
  H  H122  1  0.441924  0.608894  0.493445  1
  H  H123  1  0.407576  0.907881  0.515036  1
  H  H124  1  0.775258  0.275561  0.493445  1
  H  H125  1  0.740910  0.574547  0.515036  1
  H  H126  1  0.074243  0.241214  0.515036  1
  H  H127  1  0.608591  0.942228  0.493445  1
  H  H128  1  0.941924  0.608894  0.493445  1
  H  H129  1  0.907576  0.907881  0.515036  1
  H  H130  1  0.275258  0.275561  0.493445  1
  H  H131  1  0.240910  0.574547  0.515036  1
  H  H132  1  0.309606  0.976575  0.471854  1
  H  H133  1  0.574243  0.241214  0.515036  1
  H  H134  1  0.642939  0.643241  0.471854  1
  H  H135  1  0.976273  0.309908  0.471854  1
  H  H136  1  0.740910  0.074547  0.515036  1
  H  H137  1  0.074243  0.741214  0.515036  1
  H  H138  1  0.142939  0.143241  0.471854  1
  H  H139  1  0.407576  0.407881  0.515036  1
  H  H140  1  0.476273  0.809908  0.471854  1
  H  H141  1  0.441924  0.108894  0.493445  1
  H  H142  1  0.809606  0.476575  0.471854  1
  H  H143  1  0.775258  0.775561  0.493445  1
  H  H144  1  0.108591  0.442228  0.493445  1
  H  H145  1  0.539895  0.040200  0.536621  1
  H  H146  1  0.873228  0.706867  0.536621  1
  H  H147  1  0.838880  0.005853  0.558221  1
  H  H148  1  0.206561  0.373533  0.536621  1
  H  H149  1  0.172213  0.672520  0.558221  1
  H  H150  1  0.137864  0.971504  0.579793  1
  H  H151  1  0.505546  0.339186  0.558221  1
  H  H152  1  0.471197  0.638171  0.579793  1
  H  H153  1  0.804530  0.304838  0.579793  1
  H  H154  1  0.706561  0.873533  0.536621  1
  H  H155  1  0.039895  0.540200  0.536621  1
  H  H156  1  0.005546  0.839186  0.558221  1
  H  H157  1  0.373228  0.206867  0.536621  1
  H  H158  1  0.338880  0.505853  0.558221  1
  H  H159  1  0.304530  0.804838  0.579793  1
  H  H160  1  0.672213  0.172520  0.558221  1
  H  H161  1  0.637864  0.471504  0.579793  1
  H  H162  1  0.971197  0.138171  0.579793  1
  H  H163  1  0.505546  0.839186  0.558221  1
  H  H164  1  0.838880  0.505853  0.558221  1
  H  H165  1  0.804530  0.804838  0.579793  1
  H  H166  1  0.172213  0.172520  0.558221  1
  H  H167  1  0.137864  0.471504  0.579793  1
  H  H168  1  0.206561  0.873533  0.536621  1
  H  H169  1  0.471197  0.138171  0.579793  1
  H  H170  1  0.539895  0.540200  0.536621  1
  H  H171  1  0.873228  0.206867  0.536621  1
  H  H172  1  0.637864  0.971504  0.579793  1
  H  H173  1  0.971197  0.638171  0.579793  1
  H  H174  1  0.039895  0.040200  0.536621  1
  H  H175  1  0.304530  0.304838  0.579793  1
  H  H176  1  0.373228  0.706867  0.536621  1
  H  H177  1  0.338880  0.005853  0.558221  1
  H  H178  1  0.706561  0.373533  0.536621  1
  H  H179  1  0.672213  0.672520  0.558221  1
  H  H180  1  0.005546  0.339186  0.558221  1
  H  H181  1  0.436855  0.937164  0.601416  1
  H  H182  1  0.770188  0.603830  0.601416  1
  H  H183  1  0.735864  0.902841  0.622927  1
  H  H184  1  0.103522  0.270497  0.601416  1
  H  H185  1  0.069198  0.569507  0.622927  1
  H  H186  1  0.034939  0.868583  0.644574  1
  H  H187  1  0.402531  0.236174  0.622927  1
  H  H188  1  0.368272  0.535250  0.644574  1
  H  H189  1  0.701606  0.201917  0.644574  1
  H  H190  1  0.603522  0.770497  0.601416  1
  H  H191  1  0.936855  0.437164  0.601416  1
  H  H192  1  0.902531  0.736174  0.622927  1
  H  H193  1  0.270188  0.103830  0.601416  1
  H  H194  1  0.235864  0.402841  0.622927  1
  H  H195  1  0.201606  0.701917  0.644574  1
  H  H196  1  0.569198  0.069507  0.622927  1
  H  H197  1  0.534939  0.368583  0.644574  1
  H  H198  1  0.868272  0.035250  0.644574  1
  H  H199  1  0.402531  0.736174  0.622927  1
  H  H200  1  0.735864  0.402841  0.622927  1
  H  H201  1  0.701606  0.701917  0.644574  1
  H  H202  1  0.069198  0.069507  0.622927  1
  H  H203  1  0.034939  0.368583  0.644574  1
  H  H204  1  0.103522  0.770497  0.601416  1
  H  H205  1  0.368272  0.035250  0.644574  1
  H  H206  1  0.436855  0.437164  0.601416  1
  H  H207  1  0.770188  0.103830  0.601416  1
  H  H208  1  0.534939  0.868583  0.644574  1
  H  H209  1  0.868272  0.535250  0.644574  1
  H  H210  1  0.936855  0.937164  0.601416  1
  H  H211  1  0.201606  0.201917  0.644574  1
  H  H212  1  0.270188  0.603830  0.601416  1
  H  H213  1  0.235864  0.902841  0.622927  1
  H  H214  1  0.603522  0.270497  0.601416  1
  H  H215  1  0.569198  0.569507  0.622927  1
  H  H216  1  0.902531  0.236174  0.622927  1
  H  H217  1  0.333988  0.834300  0.665791  1
  H  H218  1  0.667322  0.500967  0.665791  1
  H  H219  1  0.632849  0.799830  0.687801  1
  H  H220  1  1.000655  0.167634  0.665791  1
  H  H221  1  0.966182  0.466496  0.687801  1
  H  H222  1  0.931369  0.765015  0.709715  1
  H  H223  1  0.299516  0.133163  0.687801  1
  H  H224  1  0.264703  0.431682  0.709715  1
  H  H225  1  0.598036  0.098349  0.709715  1
  H  H226  1  0.500655  0.667634  0.665791  1
  H  H227  1  0.833988  0.334300  0.665791  1
  H  H228  1  0.799516  0.633163  0.687801  1
  H  H229  1  0.167322  1.000967  0.665791  1
  H  H230  1  0.132849  0.299830  0.687801  1
  H  H231  1  0.098036  0.598349  0.709715  1
  H  H232  1  0.466182  0.966496  0.687801  1
  H  H233  1  0.431369  0.265015  0.709715  1
  H  H234  1  0.764703  0.931682  0.709715  1
  H  H235  1  0.299516  0.633163  0.687801  1
  H  H236  1  0.632849  0.299830  0.687801  1
  H  H237  1  0.598036  0.598349  0.709715  1
  H  H238  1  0.966182  0.966496  0.687801  1
  H  H239  1  0.931369  0.265015  0.709715  1
  H  H240  1  1.000655  0.667634  0.665791  1
  H  H241  1  0.264703  0.931682  0.709715  1
  H  H242  1  0.333988  0.334300  0.665791  1
  H  H243  1  0.667322  1.000967  0.665791  1
  H  H244  1  0.431369  0.765015  0.709715  1
  H  H245  1  0.764703  0.431682  0.709715  1
  H  H246  1  0.833988  0.834300  0.665791  1
  H  H247  1  0.098036  0.098349  0.709715  1
  H  H248  1  0.167322  0.500967  0.665791  1
  H  H249  1  0.132849  0.799830  0.687801  1
  H  H250  1  0.500655  0.167634  0.665791  1
  H  H251  1  0.466182  0.466496  0.687801  1
  H  H252  1  0.799516  0.133163  0.687801  1
