# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05516007
_cell_length_b   15.72562904
_cell_length_c   51.94730826
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   77.63390655
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H192
_cell_volume   4033.77133297
_cell_formula_units_Z   96
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  0.684226  0.210556  0.240629  1
  H  H2  1  0.684226  0.710556  0.240629  1
  H  H3  1  0.794395  0.339800  0.234713  1
  H  H4  1  0.794395  0.839800  0.234713  1
  H  H5  1  0.433217  0.456341  0.250591  1
  H  H6  1  0.433217  0.956341  0.250591  1
  H  H7  1  0.559971  0.582910  0.244758  1
  H  H8  1  0.559971  0.082910  0.244758  1
  H  H9  1  1.184226  0.210556  0.240629  1
  H  H10  1  1.184226  0.710556  0.240629  1
  H  H11  1  0.294395  0.339800  0.234713  1
  H  H12  1  0.294395  0.839800  0.234713  1
  H  H13  1  0.933217  0.456341  0.250591  1
  H  H14  1  0.933217  0.956341  0.250591  1
  H  H15  1  1.059971  0.582910  0.244758  1
  H  H16  1  1.059971  0.082910  0.244758  1
  H  H17  1  0.433483  0.190996  0.277881  1
  H  H18  1  0.433483  0.690996  0.277881  1
  H  H19  1  0.545175  0.319389  0.272453  1
  H  H20  1  0.545175  0.819389  0.272453  1
  H  H21  1  1.187695  0.436737  0.287554  1
  H  H22  1  1.187695  0.936737  0.287554  1
  H  H23  1  0.307470  0.564793  0.282321  1
  H  H24  1  0.307470  0.064793  0.282321  1
  H  H25  1  0.933483  0.190996  0.277881  1
  H  H26  1  0.933483  0.690996  0.277881  1
  H  H27  1  1.045175  0.319389  0.272453  1
  H  H28  1  1.045175  0.819389  0.272453  1
  H  H29  1  0.687695  0.436737  0.287554  1
  H  H30  1  0.687695  0.936737  0.287554  1
  H  H31  1  0.807470  0.564793  0.282321  1
  H  H32  1  0.807470  0.064793  0.282321  1
  H  H33  1  1.180012  0.171212  0.314730  1
  H  H34  1  1.180012  0.671212  0.314730  1
  H  H35  1  0.294627  0.299267  0.309354  1
  H  H36  1  0.294627  0.799267  0.309354  1
  H  H37  1  0.939059  0.416476  0.324375  1
  H  H38  1  0.939059  0.916476  0.324375  1
  H  H39  1  1.055768  0.544586  0.319187  1
  H  H40  1  1.055768  0.044586  0.319187  1
  H  H41  1  0.680012  0.171212  0.314730  1
  H  H42  1  0.680012  0.671212  0.314730  1
  H  H43  1  0.794627  0.299267  0.309354  1
  H  H44  1  0.794627  0.799267  0.309354  1
  H  H45  1  0.439059  0.416476  0.324375  1
  H  H46  1  0.439059  0.916476  0.324375  1
  H  H47  1  0.555768  0.544586  0.319187  1
  H  H48  1  0.555768  0.044586  0.319187  1
  H  H49  1  0.928980  0.151199  0.351717  1
  H  H50  1  0.928980  0.651199  0.351717  1
  H  H51  1  1.044222  0.279316  0.346419  1
  H  H52  1  1.044222  0.779316  0.346419  1
  H  H53  1  0.688936  0.396476  0.361350  1
  H  H54  1  0.688936  0.896476  0.361350  1
  H  H55  1  0.804919  0.524528  0.356139  1
  H  H56  1  0.804919  0.024528  0.356139  1
  H  H57  1  0.428980  0.151199  0.351717  1
  H  H58  1  0.428980  0.651199  0.351717  1
  H  H59  1  0.544222  0.279316  0.346419  1
  H  H60  1  0.544222  0.779316  0.346419  1
  H  H61  1  1.188936  0.396476  0.361350  1
  H  H62  1  1.188936  0.896476  0.361350  1
  H  H63  1  0.304919  0.524528  0.356139  1
  H  H64  1  0.304919  0.024528  0.356139  1
  H  H65  1  0.678151  0.131073  0.388709  1
  H  H66  1  0.678151  0.631073  0.388709  1
  H  H67  1  0.793518  0.259175  0.383450  1
  H  H68  1  0.793518  0.759175  0.383450  1
  H  H69  1  0.438454  0.376339  0.398338  1
  H  H70  1  0.438454  0.876339  0.398338  1
  H  H71  1  0.554049  0.504420  0.393117  1
  H  H72  1  0.554049  0.004420  0.393117  1
  H  H73  1  1.178151  0.131073  0.388709  1
  H  H74  1  1.178151  0.631073  0.388709  1
  H  H75  1  0.293518  0.259175  0.383450  1
  H  H76  1  0.293518  0.759175  0.383450  1
  H  H77  1  0.938454  0.376339  0.398338  1
  H  H78  1  0.938454  0.876339  0.398338  1
  H  H79  1  1.054049  0.504420  0.393117  1
  H  H80  1  1.054049  0.004420  0.393117  1
  H  H81  1  0.427426  0.110936  0.425701  1
  H  H82  1  0.427426  0.610936  0.425701  1
  H  H83  1  0.542846  0.239026  0.420460  1
  H  H84  1  0.542846  0.739026  0.420460  1
  H  H85  1  1.187837  0.356196  0.435330  1
  H  H86  1  1.187837  0.856196  0.435330  1
  H  H87  1  0.303301  0.484284  0.430100  1
  H  H88  1  0.303301  -0.015716  0.430100  1
  H  H89  1  0.927426  0.110936  0.425701  1
  H  H90  1  0.927426  0.610936  0.425701  1
  H  H91  1  1.042846  0.239026  0.420460  1
  H  H92  1  1.042846  0.739026  0.420460  1
  H  H93  1  0.687837  0.356196  0.435330  1
  H  H94  1  0.687837  0.856196  0.435330  1
  H  H95  1  0.803301  0.484284  0.430100  1
  H  H96  1  0.803301  -0.015716  0.430100  1
  H  H97  1  1.176717  0.090791  0.462689  1
  H  H98  1  1.176717  0.590791  0.462689  1
  H  H99  1  0.292181  0.218878  0.457459  1
  H  H100  1  0.292181  0.718878  0.457459  1
  H  H101  1  0.937172  0.336048  0.472330  1
  H  H102  1  0.937172  0.836048  0.472330  1
  H  H103  1  1.052592  0.464138  0.467088  1
  H  H104  1  1.052592  -0.035862  0.467088  1
  H  H105  1  0.676717  0.090791  0.462689  1
  H  H106  1  0.676717  0.590791  0.462689  1
  H  H107  1  0.792181  0.218878  0.457459  1
  H  H108  1  0.792181  0.718878  0.457459  1
  H  H109  1  0.437172  0.336048  0.472330  1
  H  H110  1  0.437172  0.836048  0.472330  1
  H  H111  1  0.552592  0.464138  0.467088  1
  H  H112  1  0.552592  -0.035862  0.467088  1
  H  H113  1  0.925970  0.070655  0.499672  1
  H  H114  1  0.925970  0.570655  0.499672  1
  H  H115  1  1.041564  0.198735  0.494452  1
  H  H116  1  1.041564  0.698735  0.494452  1
  H  H117  1  0.686501  0.315899  0.509340  1
  H  H118  1  0.686501  0.815899  0.509340  1
  H  H119  1  0.801867  0.444001  0.504080  1
  H  H120  1  0.801867  0.944001  0.504080  1
  H  H121  1  0.425970  0.070655  0.499672  1
  H  H122  1  0.425970  0.570655  0.499672  1
  H  H123  1  0.541564  0.198735  0.494452  1
  H  H124  1  0.541564  0.698735  0.494452  1
  H  H125  1  1.186501  0.315899  0.509340  1
  H  H126  1  1.186501  0.815899  0.509340  1
  H  H127  1  0.301867  0.444001  0.504080  1
  H  H128  1  0.301867  0.944001  0.504080  1
  H  H129  1  0.675100  0.050546  0.536650  1
  H  H130  1  0.675100  0.550546  0.536650  1
  H  H131  1  0.791082  0.178598  0.531440  1
  H  H132  1  0.791082  0.678598  0.531440  1
  H  H133  1  0.435796  0.295759  0.546370  1
  H  H134  1  0.435796  0.795759  0.546370  1
  H  H135  1  0.551039  0.423875  0.541072  1
  H  H136  1  0.551039  0.923875  0.541072  1
  H  H137  1  1.175100  0.050546  0.536650  1
  H  H138  1  1.175100  0.550546  0.536650  1
  H  H139  1  0.291082  0.178598  0.531440  1
  H  H140  1  0.291082  0.678598  0.531440  1
  H  H141  1  0.935796  0.295759  0.546370  1
  H  H142  1  0.935796  0.795759  0.546370  1
  H  H143  1  1.051039  0.423875  0.541072  1
  H  H144  1  1.051039  0.923875  0.541072  1
  H  H145  1  0.424250  0.030488  0.573603  1
  H  H146  1  0.424250  0.530488  0.573603  1
  H  H147  1  0.540959  0.158599  0.568415  1
  H  H148  1  0.540959  0.658599  0.568415  1
  H  H149  1  1.185392  0.275808  0.583435  1
  H  H150  1  1.185392  0.775808  0.583435  1
  H  H151  1  0.300007  0.403863  0.578060  1
  H  H152  1  0.300007  0.903863  0.578060  1
  H  H153  1  0.924250  0.030488  0.573603  1
  H  H154  1  0.924250  0.530488  0.573603  1
  H  H155  1  1.040959  0.158599  0.568415  1
  H  H156  1  1.040959  0.658599  0.568415  1
  H  H157  1  0.685392  0.275808  0.583435  1
  H  H158  1  0.685392  0.775808  0.583435  1
  H  H159  1  0.800007  0.403863  0.578060  1
  H  H160  1  0.800007  0.903863  0.578060  1
  H  H161  1  1.172548  0.010281  0.610468  1
  H  H162  1  1.172548  0.510281  0.610468  1
  H  H163  1  0.292323  0.138338  0.605236  1
  H  H164  1  0.292323  0.638338  0.605236  1
  H  H165  1  0.934843  0.255685  0.620336  1
  H  H166  1  0.934843  0.755685  0.620336  1
  H  H167  1  1.046535  0.384079  0.614909  1
  H  H168  1  1.046535  0.884079  0.614909  1
  H  H169  1  0.672548  0.010281  0.610468  1
  H  H170  1  0.672548  0.510281  0.610468  1
  H  H171  1  0.792323  0.138338  0.605236  1
  H  H172  1  0.792323  0.638338  0.605236  1
  H  H173  1  0.434843  0.255685  0.620336  1
  H  H174  1  0.434843  0.755685  0.620336  1
  H  H175  1  0.546535  0.384079  0.614909  1
  H  H176  1  0.546535  0.884079  0.614909  1
  H  H177  1  0.920047  -0.007836  0.648032  1
  H  H178  1  0.920047  0.492164  0.648032  1
  H  H179  1  1.046801  0.118734  0.642198  1
  H  H180  1  1.046801  0.618734  0.642198  1
  H  H181  1  0.685623  0.235275  0.658077  1
  H  H182  1  0.685623  0.735275  0.658077  1
  H  H183  1  0.795792  0.364519  0.652161  1
  H  H184  1  0.795792  0.864519  0.652161  1
  H  H185  1  0.420047  -0.007836  0.648032  1
  H  H186  1  0.420047  0.492164  0.648032  1
  H  H187  1  0.546801  0.118734  0.642198  1
  H  H188  1  0.546801  0.618734  0.642198  1
  H  H189  1  1.185623  0.235275  0.658077  1
  H  H190  1  1.185623  0.735275  0.658077  1
  H  H191  1  0.295792  0.364519  0.652161  1
  H  H192  1  0.295792  0.864519  0.652161  1
