# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53278323
_cell_length_b   6.54139461
_cell_length_c   46.38862935
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.39224832
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H116
_cell_volume   1964.89974061
_cell_formula_units_Z   58
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  0.730629  0.773697  0.289364  1
  H  H2  1  0.184601  0.819614  0.281672  1
  H  H3  1  0.230629  0.273697  0.289364  1
  H  H4  1  0.684601  0.319614  0.281672  1
  H  H5  1  0.813434  0.691091  0.303203  1
  H  H6  1  0.267407  0.737008  0.295510  1
  H  H7  1  0.313434  0.191091  0.303203  1
  H  H8  1  0.767407  0.237008  0.295510  1
  H  H9  1  0.911408  0.593353  0.319577  1
  H  H10  1  0.365381  0.639269  0.311884  1
  H  H11  1  0.411408  0.093353  0.319577  1
  H  H12  1  0.865381  0.139269  0.311884  1
  H  H13  1  0.001249  0.503728  0.334591  1
  H  H14  1  0.455222  0.549645  0.326899  1
  H  H15  1  0.501249  0.003728  0.334591  1
  H  H16  1  0.955222  0.049645  0.326899  1
  H  H17  1  0.094440  0.410762  0.350166  1
  H  H18  1  0.548413  0.456678  0.342473  1
  H  H19  1  0.594440  0.910762  0.350166  1
  H  H20  1  0.048413  0.956678  0.342473  1
  H  H21  1  0.186018  0.319405  0.365471  1
  H  H22  1  0.639990  0.365322  0.357778  1
  H  H23  1  0.686018  0.819405  0.365471  1
  H  H24  1  0.139990  0.865322  0.357778  1
  H  H25  1  0.278328  0.227317  0.380898  1
  H  H26  1  0.732301  0.273233  0.373206  1
  H  H27  1  0.778328  0.727317  0.380898  1
  H  H28  1  0.232301  0.773233  0.373206  1
  H  H29  1  0.370295  0.135571  0.396268  1
  H  H30  1  0.824268  0.181488  0.388576  1
  H  H31  1  0.870295  0.635571  0.396268  1
  H  H32  1  0.324268  0.681488  0.388576  1
  H  H33  1  0.462421  0.043667  0.411664  1
  H  H34  1  0.916394  0.089584  0.403972  1
  H  H35  1  0.962421  0.543667  0.411664  1
  H  H36  1  0.416394  0.589584  0.403972  1
  H  H37  1  0.554473  0.951837  0.427048  1
  H  H38  1  0.008446  0.997754  0.419356  1
  H  H39  1  0.054473  0.451837  0.427048  1
  H  H40  1  0.508446  0.497754  0.419356  1
  H  H41  1  0.646559  0.859973  0.442438  1
  H  H42  1  0.100532  0.905889  0.434746  1
  H  H43  1  0.146559  0.359973  0.442438  1
  H  H44  1  0.600532  0.405889  0.434746  1
  H  H45  1  0.738630  0.768124  0.457826  1
  H  H46  1  0.192602  0.814041  0.450133  1
  H  H47  1  0.238630  0.268124  0.457826  1
  H  H48  1  0.692602  0.314041  0.450133  1
  H  H49  1  0.830708  0.676268  0.473214  1
  H  H50  1  0.284680  0.722185  0.465522  1
  H  H51  1  0.330708  0.176268  0.473214  1
  H  H52  1  0.784680  0.222185  0.465522  1
  H  H53  1  0.922782  0.584415  0.488602  1
  H  H54  1  0.376755  0.630332  0.480910  1
  H  H55  1  0.422782  0.084415  0.488602  1
  H  H56  1  0.876755  0.130332  0.480910  1
  H  H57  1  0.014858  0.492562  0.503990  1
  H  H58  1  0.468830  0.538478  0.496298  1
  H  H59  1  0.514858  0.992562  0.503990  1
  H  H60  1  0.968830  0.038478  0.496298  1
  H  H61  1  0.106933  0.400708  0.519378  1
  H  H62  1  0.560906  0.446624  0.511686  1
  H  H63  1  0.606933  0.900708  0.519378  1
  H  H64  1  0.060906  0.946624  0.511686  1
  H  H65  1  0.199008  0.308855  0.534766  1
  H  H66  1  0.652980  0.354772  0.527074  1
  H  H67  1  0.699008  0.808855  0.534766  1
  H  H68  1  0.152980  0.854772  0.527074  1
  H  H69  1  0.291085  0.216999  0.550154  1
  H  H70  1  0.745058  0.262916  0.542462  1
  H  H71  1  0.791085  0.716999  0.550154  1
  H  H72  1  0.245058  0.762916  0.542462  1
  H  H73  1  0.383156  0.125151  0.565542  1
  H  H74  1  0.837128  0.171067  0.557849  1
  H  H75  1  0.883156  0.625151  0.565542  1
  H  H76  1  0.337128  0.671067  0.557849  1
  H  H77  1  0.475242  0.033286  0.580931  1
  H  H78  1  0.929215  0.079203  0.573239  1
  H  H79  1  0.975242  0.533286  0.580931  1
  H  H80  1  0.429215  0.579203  0.573239  1
  H  H81  1  0.567294  0.941456  0.596316  1
  H  H82  1  0.021267  0.987372  0.588623  1
  H  H83  1  0.067294  0.441456  0.596316  1
  H  H84  1  0.521267  0.487372  0.588623  1
  H  H85  1  0.659420  0.849552  0.611712  1
  H  H86  1  0.113392  0.895469  0.604020  1
  H  H87  1  0.159420  0.349552  0.611712  1
  H  H88  1  0.613392  0.395469  0.604020  1
  H  H89  1  0.751387  0.757806  0.627082  1
  H  H90  1  0.205360  0.803723  0.619390  1
  H  H91  1  0.251387  0.257806  0.627082  1
  H  H92  1  0.705360  0.303723  0.619390  1
  H  H93  1  0.843698  0.665718  0.642509  1
  H  H94  1  0.297670  0.711635  0.634817  1
  H  H95  1  0.343698  0.165718  0.642509  1
  H  H96  1  0.797670  0.211635  0.634817  1
  H  H97  1  0.935275  0.574361  0.657814  1
  H  H98  1  0.389247  0.620278  0.650122  1
  H  H99  1  0.435275  0.074361  0.657814  1
  H  H100  1  0.889247  0.120278  0.650122  1
  H  H101  1  0.028466  0.481395  0.673389  1
  H  H102  1  0.482438  0.527311  0.665696  1
  H  H103  1  0.528466  0.981395  0.673389  1
  H  H104  1  0.982438  0.027311  0.665696  1
  H  H105  1  0.118307  0.391770  0.688403  1
  H  H106  1  0.572279  0.437687  0.680711  1
  H  H107  1  0.618307  0.891770  0.688403  1
  H  H108  1  0.072279  0.937687  0.680711  1
  H  H109  1  0.216281  0.294032  0.704777  1
  H  H110  1  0.670254  0.339949  0.697085  1
  H  H111  1  0.716281  0.794032  0.704777  1
  H  H112  1  0.170254  0.839949  0.697085  1
  H  H113  1  0.299087  0.211426  0.718616  1
  H  H114  1  0.753059  0.257342  0.710924  1
  H  H115  1  0.799087  0.711426  0.718616  1
  H  H116  1  0.253059  0.757342  0.710924  1
