# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   37.00159243
_cell_length_b   15.36526741
_cell_length_c   49.67724927
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   62.41252413
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H252
_cell_volume   25032.3252748
_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  0.590366  0.980096  0.326389  1
  H  H2  1  0.090366  0.980096  0.326389  1
  H  H3  1  0.302234  0.078381  0.284722  1
  H  H4  1  0.423700  0.646762  0.326389  1
  H  H5  1  0.446300  0.029238  0.305556  1
  H  H6  1  0.635568  0.745048  0.284722  1
  H  H7  1  0.802234  0.078381  0.284722  1
  H  H8  1  0.923700  0.646762  0.326389  1
  H  H9  1  0.946300  0.029238  0.305556  1
  H  H10  1  0.135568  0.745048  0.284722  1
  H  H11  1  0.257033  0.313429  0.326389  1
  H  H12  1  0.279634  0.695905  0.305556  1
  H  H13  1  0.468901  0.411715  0.284722  1
  H  H14  1  0.612967  0.362572  0.305556  1
  H  H15  1  0.757033  0.313429  0.326389  1
  H  H16  1  0.779634  0.695905  0.305556  1
  H  H17  1  0.968901  0.411715  0.284722  1
  H  H18  1  0.112967  0.362572  0.305556  1
  H  H19  1  0.564945  0.212286  0.298611  1
  H  H20  1  0.064945  0.212286  0.298611  1
  H  H21  1  0.209011  0.163143  0.319444  1
  H  H22  1  0.398278  0.878953  0.298611  1
  H  H23  1  0.353077  0.114000  0.340278  1
  H  H24  1  0.542344  0.829810  0.319444  1
  H  H25  1  0.709011  0.163143  0.319444  1
  H  H26  1  0.898278  0.878953  0.298611  1
  H  H27  1  0.853077  0.114000  0.340278  1
  H  H28  1  0.042344  0.829810  0.319444  1
  H  H29  1  0.231612  0.545619  0.298611  1
  H  H30  1  0.186410  0.780667  0.340278  1
  H  H31  1  0.375678  0.496477  0.319444  1
  H  H32  1  0.519744  0.447334  0.340278  1
  H  H33  1  0.731612  0.545619  0.298611  1
  H  H34  1  0.686410  0.780667  0.340278  1
  H  H35  1  0.875678  0.496477  0.319444  1
  H  H36  1  0.019744  0.447334  0.340278  1
  H  H37  1  0.522564  0.832667  0.388889  1
  H  H38  1  0.022564  0.832667  0.388889  1
  H  H39  1  0.234432  0.930953  0.347222  1
  H  H40  1  0.355897  0.499334  0.388889  1
  H  H41  1  0.378498  0.881810  0.368056  1
  H  H42  1  0.567765  0.597619  0.347222  1
  H  H43  1  0.734432  0.930953  0.347222  1
  H  H44  1  0.855897  0.499334  0.388889  1
  H  H45  1  0.878498  0.881810  0.368056  1
  H  H46  1  0.067765  0.597619  0.347222  1
  H  H47  1  0.189231  0.166000  0.388889  1
  H  H48  1  0.211831  0.548477  0.368056  1
  H  H49  1  0.401099  0.264286  0.347222  1
  H  H50  1  0.545165  0.215143  0.368056  1
  H  H51  1  0.689231  0.166000  0.388889  1
  H  H52  1  0.711831  0.548477  0.368056  1
  H  H53  1  0.901099  0.264286  0.347222  1
  H  H54  1  0.045165  0.215143  0.368056  1
  H  H55  1  0.497143  0.064858  0.361111  1
  H  H56  1  0.997143  0.064858  0.361111  1
  H  H57  1  0.141209  0.015715  0.381944  1
  H  H58  1  0.330476  0.731524  0.361111  1
  H  H59  1  0.285275  0.966572  0.402778  1
  H  H60  1  0.474542  0.682381  0.381944  1
  H  H61  1  0.641209  0.015715  0.381944  1
  H  H62  1  0.830476  0.731524  0.361111  1
  H  H63  1  0.785275  0.966572  0.402778  1
  H  H64  1  0.974542  0.682381  0.381944  1
  H  H65  1  0.163809  0.398191  0.361111  1
  H  H66  1  0.118608  0.633239  0.402778  1
  H  H67  1  0.307875  0.349048  0.381944  1
  H  H68  1  0.451941  0.299905  0.402778  1
  H  H69  1  0.663809  0.398191  0.361111  1
  H  H70  1  0.618608  0.633239  0.402778  1
  H  H71  1  0.807875  0.349048  0.381944  1
  H  H72  1  0.951941  0.299905  0.402778  1
  H  H73  1  0.454762  0.685239  0.451389  1
  H  H74  1  0.954762  0.685239  0.451389  1
  H  H75  1  0.166630  0.783524  0.409722  1
  H  H76  1  0.288095  0.351905  0.451389  1
  H  H77  1  0.310696  0.734381  0.430556  1
  H  H78  1  0.499963  0.450191  0.409722  1
  H  H79  1  0.666630  0.783524  0.409722  1
  H  H80  1  0.788095  0.351905  0.451389  1
  H  H81  1  0.810696  0.734381  0.430556  1
  H  H82  1  0.999963  0.450191  0.409722  1
  H  H83  1  0.121428  0.018572  0.451389  1
  H  H84  1  0.144029  0.401048  0.430556  1
  H  H85  1  0.333297  0.116858  0.409722  1
  H  H86  1  0.477363  0.067715  0.430556  1
  H  H87  1  0.621428  0.018572  0.451389  1
  H  H88  1  0.644029  0.401048  0.430556  1
  H  H89  1  0.833297  0.116858  0.409722  1
  H  H90  1  0.977363  0.067715  0.430556  1
  H  H91  1  0.429341  0.917429  0.423611  1
  H  H92  1  0.929341  0.917429  0.423611  1
  H  H93  1  0.073406  0.868286  0.444444  1
  H  H94  1  0.262674  0.584096  0.423611  1
  H  H95  1  0.217472  0.819143  0.465278  1
  H  H96  1  0.406740  0.534953  0.444444  1
  H  H97  1  0.573406  0.868286  0.444444  1
  H  H98  1  0.762674  0.584096  0.423611  1
  H  H99  1  0.717472  0.819143  0.465278  1
  H  H100  1  0.906740  0.534953  0.444444  1
  H  H101  1  0.096007  0.250762  0.423611  1
  H  H102  1  0.050806  0.485810  0.465278  1
  H  H103  1  0.240073  0.201620  0.444444  1
  H  H104  1  0.384139  0.152477  0.465278  1
  H  H105  1  0.596007  0.250762  0.423611  1
  H  H106  1  0.550806  0.485810  0.465278  1
  H  H107  1  0.740073  0.201620  0.444444  1
  H  H108  1  0.884139  0.152477  0.465278  1
  H  H109  1  0.386960  0.537810  0.513889  1
  H  H110  1  0.886960  0.537810  0.513889  1
  H  H111  1  0.098828  0.636096  0.472222  1
  H  H112  1  0.220293  0.204477  0.513889  1
  H  H113  1  0.242894  0.586953  0.493056  1
  H  H114  1  0.432161  0.302762  0.472222  1
  H  H115  1  0.598828  0.636096  0.472222  1
  H  H116  1  0.720293  0.204477  0.513889  1
  H  H117  1  0.742894  0.586953  0.493056  1
  H  H118  1  0.932161  0.302762  0.472222  1
  H  H119  1  0.053626  0.871144  0.513889  1
  H  H120  1  0.076227  0.253620  0.493056  1
  H  H121  1  0.265494  0.969429  0.472222  1
  H  H122  1  0.409560  0.920286  0.493056  1
  H  H123  1  0.553626  0.871144  0.513889  1
  H  H124  1  0.576227  0.253620  0.493056  1
  H  H125  1  0.765494  0.969429  0.472222  1
  H  H126  1  0.909560  0.920286  0.493056  1
  H  H127  1  0.361538  0.770001  0.486111  1
  H  H128  1  0.861538  0.770001  0.486111  1
  H  H129  1  0.005604  0.720858  0.506944  1
  H  H130  1  0.194872  0.436667  0.486111  1
  H  H131  1  0.149670  0.671715  0.527778  1
  H  H132  1  0.338938  0.387524  0.506944  1
  H  H133  1  0.505604  0.720858  0.506944  1
  H  H134  1  0.694872  0.436667  0.486111  1
  H  H135  1  0.649670  0.671715  0.527778  1
  H  H136  1  0.838938  0.387524  0.506944  1
  H  H137  1  0.028205  0.103334  0.486111  1
  H  H138  1  0.983004  0.338382  0.527778  1
  H  H139  1  0.172271  0.054191  0.506944  1
  H  H140  1  0.316337  0.005048  0.527778  1
  H  H141  1  0.528205  0.103334  0.486111  1
  H  H142  1  0.483004  0.338382  0.527778  1
  H  H143  1  0.672271  0.054191  0.506944  1
  H  H144  1  0.816337  0.005048  0.527778  1
  H  H145  1  0.319157  0.390382  0.576389  1
  H  H146  1  0.819157  0.390382  0.576389  1
  H  H147  1  0.031026  0.488667  0.534722  1
  H  H148  1  0.152491  0.057048  0.576389  1
  H  H149  1  0.175091  0.439525  0.555556  1
  H  H150  1  0.364359  0.155334  0.534722  1
  H  H151  1  0.531026  0.488667  0.534722  1
  H  H152  1  0.652491  0.057048  0.576389  1
  H  H153  1  0.675091  0.439525  0.555556  1
  H  H154  1  0.864359  0.155334  0.534722  1
  H  H155  1  0.985824  0.723715  0.576389  1
  H  H156  1  0.008425  0.106191  0.555556  1
  H  H157  1  0.197692  0.822001  0.534722  1
  H  H158  1  0.341758  0.772858  0.555556  1
  H  H159  1  0.485824  0.723715  0.576389  1
  H  H160  1  0.508425  0.106191  0.555556  1
  H  H161  1  0.697692  0.822001  0.534722  1
  H  H162  1  0.841758  0.772858  0.555556  1
  H  H163  1  0.293736  0.622572  0.548611  1
  H  H164  1  0.793736  0.622572  0.548611  1
  H  H165  1  0.937802  0.573429  0.569444  1
  H  H166  1  0.127069  0.289239  0.548611  1
  H  H167  1  0.081868  0.524286  0.590278  1
  H  H168  1  0.271135  0.240096  0.569444  1
  H  H169  1  0.437802  0.573429  0.569444  1
  H  H170  1  0.627069  0.289239  0.548611  1
  H  H171  1  0.581868  0.524286  0.590278  1
  H  H172  1  0.771135  0.240096  0.569444  1
  H  H173  1  0.960403  0.955905  0.548611  1
  H  H174  1  0.915201  0.190953  0.590278  1
  H  H175  1  0.104469  0.906763  0.569444  1
  H  H176  1  0.248535  0.857620  0.590278  1
  H  H177  1  0.460403  0.955905  0.548611  1
  H  H178  1  0.415201  0.190953  0.590278  1
  H  H179  1  0.604469  0.906763  0.569444  1
  H  H180  1  0.748535  0.857620  0.590278  1
  H  H181  1  0.251355  0.242953  0.638889  1
  H  H182  1  0.751355  0.242953  0.638889  1
  H  H183  1  0.963223  0.341239  0.597222  1
  H  H184  1  0.084688  0.909620  0.638889  1
  H  H185  1  0.107289  0.292096  0.618056  1
  H  H186  1  0.296557  0.007906  0.597222  1
  H  H187  1  0.463223  0.341239  0.597222  1
  H  H188  1  0.584688  0.909620  0.638889  1
  H  H189  1  0.607289  0.292096  0.618056  1
  H  H190  1  0.796557  0.007906  0.597222  1
  H  H191  1  0.918022  0.576287  0.638889  1
  H  H192  1  0.940623  0.958763  0.618056  1
  H  H193  1  0.129890  0.674572  0.597222  1
  H  H194  1  0.273956  0.625429  0.618056  1
  H  H195  1  0.418022  0.576287  0.638889  1
  H  H196  1  0.440623  0.958763  0.618056  1
  H  H197  1  0.629890  0.674572  0.597222  1
  H  H198  1  0.773956  0.625429  0.618056  1
  H  H199  1  0.225934  0.475144  0.611111  1
  H  H200  1  0.725934  0.475144  0.611111  1
  H  H201  1  0.870000  0.426001  0.631944  1
  H  H202  1  0.059267  0.141810  0.611111  1
  H  H203  1  0.014066  0.376858  0.652778  1
  H  H204  1  0.203333  0.092667  0.631944  1
  H  H205  1  0.370000  0.426001  0.631944  1
  H  H206  1  0.559267  0.141810  0.611111  1
  H  H207  1  0.514066  0.376858  0.652778  1
  H  H208  1  0.703333  0.092667  0.631944  1
  H  H209  1  0.892601  0.808477  0.611111  1
  H  H210  1  0.847399  0.043525  0.652778  1
  H  H211  1  0.036667  0.759334  0.631944  1
  H  H212  1  0.180732  0.710191  0.652778  1
  H  H213  1  0.392601  0.808477  0.611111  1
  H  H214  1  0.347399  0.043525  0.652778  1
  H  H215  1  0.536667  0.759334  0.631944  1
  H  H216  1  0.680732  0.710191  0.652778  1
  H  H217  1  0.183553  0.095525  0.701389  1
  H  H218  1  0.683553  0.095525  0.701389  1
  H  H219  1  0.895421  0.193810  0.659722  1
  H  H220  1  0.016886  0.762191  0.701389  1
  H  H221  1  0.039487  0.144668  0.680556  1
  H  H222  1  0.228754  0.860477  0.659722  1
  H  H223  1  0.395421  0.193810  0.659722  1
  H  H224  1  0.516886  0.762191  0.701389  1
  H  H225  1  0.539487  0.144668  0.680556  1
  H  H226  1  0.728754  0.860477  0.659722  1
  H  H227  1  0.850220  0.428858  0.701389  1
  H  H228  1  0.872820  0.811334  0.680556  1
  H  H229  1  0.062088  0.527144  0.659722  1
  H  H230  1  0.206154  0.478001  0.680556  1
  H  H231  1  0.350220  0.428858  0.701389  1
  H  H232  1  0.372820  0.811334  0.680556  1
  H  H233  1  0.562088  0.527144  0.659722  1
  H  H234  1  0.706154  0.478001  0.680556  1
  H  H235  1  0.158132  0.327715  0.673611  1
  H  H236  1  0.658132  0.327715  0.673611  1
  H  H237  1  0.802198  0.278572  0.694444  1
  H  H238  1  0.991465  0.994382  0.673611  1
  H  H239  1  0.946264  0.229429  0.715278  1
  H  H240  1  0.135531  0.945239  0.694444  1
  H  H241  1  0.302198  0.278572  0.694444  1
  H  H242  1  0.491465  0.994382  0.673611  1
  H  H243  1  0.446264  0.229429  0.715278  1
  H  H244  1  0.635531  0.945239  0.694444  1
  H  H245  1  0.824798  0.661048  0.673611  1
  H  H246  1  0.779597  0.896096  0.715278  1
  H  H247  1  0.968864  0.611906  0.694444  1
  H  H248  1  0.112930  0.562763  0.715278  1
  H  H249  1  0.324798  0.661048  0.673611  1
  H  H250  1  0.279597  0.896096  0.715278  1
  H  H251  1  0.468864  0.611906  0.694444  1
  H  H252  1  0.612930  0.562763  0.715278  1
