# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.23528851
_cell_length_b   9.92904637
_cell_length_c   46.43153927
_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   H180
_cell_volume   3796.64017438
_cell_formula_units_Z   90
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  0.117307  0.198221  0.304078  1
  H  H2  1  0.113344  0.979474  0.284392  1
  H  H3  1  0.113351  0.587281  0.293922  1
  H  H4  1  0.614305  0.337743  0.299902  1
  H  H5  1  0.615216  0.118832  0.281263  1
  H  H6  1  0.613381  0.730726  0.290441  1
  H  H7  1  0.885826  0.337743  0.299902  1
  H  H8  1  0.884915  0.118832  0.281263  1
  H  H9  1  0.886750  0.730726  0.290441  1
  H  H10  1  0.382824  0.198221  0.304078  1
  H  H11  1  0.386787  0.979474  0.284392  1
  H  H12  1  0.386780  0.587281  0.293922  1
  H  H13  1  0.118436  0.013620  0.333973  1
  H  H14  1  0.118571  0.800128  0.314779  1
  H  H15  1  0.118338  0.407024  0.324408  1
  H  H16  1  0.618503  0.149595  0.330657  1
  H  H17  1  0.618633  0.937742  0.311654  1
  H  H18  1  0.618638  0.544825  0.320911  1
  H  H19  1  0.881628  0.149595  0.330657  1
  H  H20  1  0.881498  0.937742  0.311654  1
  H  H21  1  0.881493  0.544825  0.320911  1
  H  H22  1  0.381695  0.013620  0.333973  1
  H  H23  1  0.381560  0.800128  0.314779  1
  H  H24  1  0.381793  0.407024  0.324408  1
  H  H25  1  0.118315  0.830177  0.363474  1
  H  H26  1  0.118443  0.618152  0.344035  1
  H  H27  1  0.118437  0.223865  0.353694  1
  H  H28  1  0.618418  0.964048  0.360209  1
  H  H29  1  0.618494  0.753401  0.340739  1
  H  H30  1  0.618536  0.358526  0.350032  1
  H  H31  1  0.881713  0.964048  0.360209  1
  H  H32  1  0.881637  0.753401  0.340739  1
  H  H33  1  0.881595  0.358526  0.350032  1
  H  H34  1  0.381816  0.830177  0.363474  1
  H  H35  1  0.381687  0.618152  0.344035  1
  H  H36  1  0.381694  0.223865  0.353694  1
  H  H37  1  0.118338  0.646155  0.392731  1
  H  H38  1  0.118271  0.434974  0.373315  1
  H  H39  1  0.118374  0.040668  0.382908  1
  H  H40  1  0.618370  0.778618  0.389431  1
  H  H41  1  0.618334  0.568138  0.369956  1
  H  H42  1  0.618357  0.173692  0.379546  1
  H  H43  1  0.881761  0.778618  0.389431  1
  H  H44  1  0.881797  0.568138  0.369956  1
  H  H45  1  0.881774  0.173692  0.379546  1
  H  H46  1  0.381793  0.646155  0.392731  1
  H  H47  1  0.381860  0.434974  0.373315  1
  H  H48  1  0.381757  0.040668  0.382908  1
  H  H49  1  0.118195  0.462084  0.422151  1
  H  H50  1  0.118276  0.251306  0.402546  1
  H  H51  1  0.118211  0.856805  0.412367  1
  H  H52  1  0.618238  0.594066  0.418830  1
  H  H53  1  0.618389  0.383509  0.399106  1
  H  H54  1  0.618229  0.989055  0.409062  1
  H  H55  1  0.881893  0.594066  0.418830  1
  H  H56  1  0.881742  0.383509  0.399106  1
  H  H57  1  0.881902  0.989055  0.409062  1
  H  H58  1  0.381936  0.462084  0.422151  1
  H  H59  1  0.381855  0.251306  0.402546  1
  H  H60  1  0.381920  0.856805  0.412367  1
  H  H61  1  0.118250  0.277955  0.451519  1
  H  H62  1  0.118268  0.067388  0.431911  1
  H  H63  1  0.118244  0.672665  0.441724  1
  H  H64  1  0.618283  0.409754  0.448164  1
  H  H65  1  0.618253  0.199365  0.428588  1
  H  H66  1  0.618267  0.804564  0.438424  1
  H  H67  1  0.881848  0.409754  0.448164  1
  H  H68  1  0.881878  0.199365  0.428588  1
  H  H69  1  0.881864  0.804564  0.438424  1
  H  H70  1  0.381881  0.277955  0.451519  1
  H  H71  1  0.381863  0.067388  0.431911  1
  H  H72  1  0.381887  0.672665  0.441724  1
  H  H73  1  0.118262  0.093794  0.480891  1
  H  H74  1  0.118248  0.883251  0.461319  1
  H  H75  1  0.118238  0.488486  0.471117  1
  H  H76  1  0.618258  0.225561  0.477583  1
  H  H77  1  0.618248  0.015076  0.458023  1
  H  H78  1  0.618258  0.620255  0.467809  1
  H  H79  1  0.881873  0.225561  0.477583  1
  H  H80  1  0.881883  0.015076  0.458023  1
  H  H81  1  0.881873  0.620255  0.467809  1
  H  H82  1  0.381869  0.093794  0.480891  1
  H  H83  1  0.381882  0.883251  0.461319  1
  H  H84  1  0.381893  0.488486  0.471117  1
  H  H85  1  0.118261  0.909567  0.510282  1
  H  H86  1  0.118256  0.699019  0.490690  1
  H  H87  1  0.118265  0.304308  0.500505  1
  H  H88  1  0.618256  0.041326  0.506987  1
  H  H89  1  0.618261  0.830777  0.487395  1
  H  H90  1  0.618265  0.436036  0.497172  1
  H  H91  1  0.881875  0.041326  0.506987  1
  H  H92  1  0.881870  0.830777  0.487395  1
  H  H93  1  0.881866  0.436036  0.497172  1
  H  H94  1  0.381870  0.909567  0.510282  1
  H  H95  1  0.381875  0.699019  0.490690  1
  H  H96  1  0.381866  0.304308  0.500505  1
  H  H97  1  0.118248  0.725268  0.539654  1
  H  H98  1  0.118258  0.514784  0.520094  1
  H  H99  1  0.118258  0.120089  0.529868  1
  H  H100  1  0.618248  0.857093  0.536358  1
  H  H101  1  0.618262  0.646550  0.516786  1
  H  H102  1  0.618238  0.251858  0.526560  1
  H  H103  1  0.881882  0.857093  0.536358  1
  H  H104  1  0.881869  0.646550  0.516786  1
  H  H105  1  0.881893  0.251858  0.526560  1
  H  H106  1  0.381883  0.725268  0.539654  1
  H  H107  1  0.381873  0.514784  0.520094  1
  H  H108  1  0.381873  0.120089  0.529868  1
  H  H109  1  0.118253  0.540979  0.569089  1
  H  H110  1  0.118283  0.330590  0.549513  1
  H  H111  1  0.118267  0.935781  0.559253  1
  H  H112  1  0.618268  0.672956  0.565766  1
  H  H113  1  0.618250  0.462390  0.546158  1
  H  H114  1  0.618244  0.067679  0.555954  1
  H  H115  1  0.881863  0.672956  0.565766  1
  H  H116  1  0.881881  0.462390  0.546158  1
  H  H117  1  0.881887  0.067679  0.555954  1
  H  H118  1  0.381878  0.540979  0.569089  1
  H  H119  1  0.381848  0.330590  0.549513  1
  H  H120  1  0.381864  0.935781  0.559253  1
  H  H121  1  0.118389  0.356835  0.598571  1
  H  H122  1  0.118238  0.146278  0.578847  1
  H  H123  1  0.118229  0.751290  0.588615  1
  H  H124  1  0.618276  0.489039  0.595131  1
  H  H125  1  0.618195  0.278260  0.575526  1
  H  H126  1  0.618211  0.883540  0.585310  1
  H  H127  1  0.881855  0.489039  0.595131  1
  H  H128  1  0.881936  0.278260  0.575526  1
  H  H129  1  0.881920  0.883540  0.585310  1
  H  H130  1  0.381742  0.356835  0.598571  1
  H  H131  1  0.381893  0.146278  0.578847  1
  H  H132  1  0.381902  0.751290  0.588615  1
  H  H133  1  0.118334  0.172206  0.627722  1
  H  H134  1  0.118370  0.961726  0.608246  1
  H  H135  1  0.118357  0.566653  0.618131  1
  H  H136  1  0.618271  0.305371  0.624362  1
  H  H137  1  0.618338  0.094190  0.604946  1
  H  H138  1  0.618374  0.699676  0.614769  1
  H  H139  1  0.881860  0.305371  0.624362  1
  H  H140  1  0.881793  0.094190  0.604946  1
  H  H141  1  0.881757  0.699676  0.614769  1
  H  H142  1  0.381797  0.172206  0.627722  1
  H  H143  1  0.381761  0.961726  0.608246  1
  H  H144  1  0.381774  0.566653  0.618131  1
  H  H145  1  0.118494  0.986943  0.656938  1
  H  H146  1  0.118418  0.776296  0.637468  1
  H  H147  1  0.118536  0.381818  0.647645  1
  H  H148  1  0.618443  0.122193  0.653642  1
  H  H149  1  0.618315  0.910168  0.634203  1
  H  H150  1  0.618437  0.516479  0.643983  1
  H  H151  1  0.881687  0.122193  0.653642  1
  H  H152  1  0.881816  0.910168  0.634203  1
  H  H153  1  0.881694  0.516479  0.643983  1
  H  H154  1  0.381637  0.986943  0.656938  1
  H  H155  1  0.381713  0.776296  0.637468  1
  H  H156  1  0.381595  0.381818  0.647645  1
  H  H157  1  0.118633  0.802602  0.686023  1
  H  H158  1  0.118503  0.590749  0.667020  1
  H  H159  1  0.118638  0.195519  0.676766  1
  H  H160  1  0.618571  0.940216  0.682898  1
  H  H161  1  0.618436  0.726725  0.663704  1
  H  H162  1  0.618338  0.333320  0.673269  1
  H  H163  1  0.881560  0.940216  0.682898  1
  H  H164  1  0.881695  0.726725  0.663704  1
  H  H165  1  0.881793  0.333320  0.673269  1
  H  H166  1  0.381498  0.802602  0.686023  1
  H  H167  1  0.381628  0.590749  0.667020  1
  H  H168  1  0.381493  0.195519  0.676766  1
  H  H169  1  0.115216  0.621512  0.716414  1
  H  H170  1  0.114305  0.402601  0.697776  1
  H  H171  1  0.113381  0.009618  0.707236  1
  H  H172  1  0.613344  0.760870  0.713285  1
  H  H173  1  0.617307  0.542124  0.693599  1
  H  H174  1  0.613351  0.153064  0.703755  1
  H  H175  1  0.886787  0.760870  0.713285  1
  H  H176  1  0.882824  0.542124  0.693599  1
  H  H177  1  0.886780  0.153064  0.703755  1
  H  H178  1  0.384915  0.621512  0.716414  1
  H  H179  1  0.385826  0.402601  0.697776  1
  H  H180  1  0.386750  0.009618  0.707236  1
