# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96701615
_cell_length_b   11.72942163
_cell_length_c   46.58180070
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.74713640
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H108
_cell_volume   2136.19995108
_cell_formula_units_Z   54
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  0.086235  0.985978  0.268004  1
  H  H2  1  0.277191  0.312778  0.274804  1
  H  H3  1  0.453773  0.641173  0.282244  1
  H  H4  1  0.799625  0.151566  0.269940  1
  H  H5  1  0.973580  0.477551  0.277887  1
  H  H6  1  0.141793  0.802172  0.285997  1
  H  H7  1  0.584470  0.969411  0.293560  1
  H  H8  1  0.765268  0.302036  0.302240  1
  H  H9  1  0.937271  0.629650  0.310147  1
  H  H10  1  0.310765  0.138184  0.297105  1
  H  H11  1  0.480476  0.466497  0.305095  1
  H  H12  1  0.650884  0.795379  0.312802  1
  H  H13  1  0.087859  0.959554  0.319128  1
  H  H14  1  0.259273  0.290780  0.327511  1
  H  H15  1  0.431426  0.620503  0.335464  1
  H  H16  1  0.816489  0.125288  0.321747  1
  H  H17  1  0.988099  0.455989  0.330395  1
  H  H18  1  0.157722  0.785829  0.338170  1
  H  H19  1  0.590853  0.949678  0.344340  1
  H  H20  1  0.760016  0.279717  0.352826  1
  H  H21  1  0.931147  0.610176  0.361037  1
  H  H22  1  0.323992  0.115249  0.347005  1
  H  H23  1  0.493912  0.445672  0.355503  1
  H  H24  1  0.663417  0.775691  0.363455  1
  H  H25  1  0.095427  0.939448  0.369658  1
  H  H26  1  0.263927  0.269556  0.378125  1
  H  H27  1  0.433900  0.599809  0.386346  1
  H  H28  1  0.830887  0.105070  0.371979  1
  H  H29  1  0.999880  0.435236  0.380572  1
  H  H30  1  0.169287  0.765413  0.388702  1
  H  H31  1  0.600712  0.929394  0.394941  1
  H  H32  1  0.768994  0.259230  0.403397  1
  H  H33  1  0.938483  0.589409  0.411704  1
  H  H34  1  0.337088  0.095050  0.397189  1
  H  H35  1  0.505923  0.425158  0.405650  1
  H  H36  1  0.674821  0.755020  0.413895  1
  H  H37  1  0.106150  0.919166  0.420219  1
  H  H38  1  0.274538  0.249077  0.428655  1
  H  H39  1  0.443563  0.579103  0.436983  1
  H  H40  1  0.842809  0.084866  0.422391  1
  H  H41  1  0.011506  0.414861  0.430840  1
  H  H42  1  0.180246  0.744786  0.439157  1
  H  H43  1  0.611653  0.908888  0.445472  1
  H  H44  1  0.780066  0.238811  0.453904  1
  H  H45  1  0.948924  0.568821  0.462265  1
  H  H46  1  0.348359  0.074645  0.447632  1
  H  H47  1  0.517034  0.404642  0.456042  1
  H  H48  1  0.685622  0.734526  0.464402  1
  H  H49  1  0.117147  0.898650  0.470735  1
  H  H50  1  0.285595  0.228564  0.479146  1
  H  H51  1  0.454343  0.558555  0.487524  1
  H  H52  1  0.853821  0.064380  0.472873  1
  H  H53  1  0.022528  0.394379  0.481272  1
  H  H54  1  0.191043  0.724286  0.489664  1
  H  H55  1  0.622590  0.888397  0.495989  1
  H  H56  1  0.791105  0.218305  0.504381  1
  H  H57  1  0.959812  0.548303  0.512781  1
  H  H58  1  0.359290  0.054129  0.498130  1
  H  H59  1  0.528038  0.384119  0.506507  1
  H  H60  1  0.696486  0.714033  0.514918  1
  H  H61  1  0.128011  0.878158  0.521251  1
  H  H62  1  0.296599  0.208041  0.529611  1
  H  H63  1  0.465274  0.538038  0.538021  1
  H  H64  1  0.864709  0.043862  0.523388  1
  H  H65  1  0.033567  0.373872  0.531749  1
  H  H66  1  0.201980  0.703795  0.540182  1
  H  H67  1  0.633387  0.867897  0.546497  1
  H  H68  1  0.802127  0.197823  0.554814  1
  H  H69  1  0.970824  0.527818  0.563263  1
  H  H70  1  0.370070  0.033581  0.548670  1
  H  H71  1  0.539095  0.363607  0.556998  1
  H  H72  1  0.707483  0.693517  0.565434  1
  H  H73  1  0.138812  0.857663  0.571758  1
  H  H74  1  0.307710  0.187526  0.580003  1
  H  H75  1  0.476545  0.517634  0.588464  1
  H  H76  1  0.875150  0.023275  0.573949  1
  H  H77  1  0.044639  0.353454  0.582256  1
  H  H78  1  0.212921  0.683289  0.590712  1
  H  H79  1  0.644346  0.847271  0.596951  1
  H  H80  1  0.813753  0.177448  0.605082  1
  H  H81  1  0.982746  0.507613  0.613674  1
  H  H82  1  0.379733  0.012874  0.599307  1
  H  H83  1  0.549706  0.343127  0.607529  1
  H  H84  1  0.718206  0.673235  0.615995  1
  H  H85  1  0.150216  0.836993  0.622198  1
  H  H86  1  0.319721  0.167011  0.630150  1
  H  H87  1  0.489641  0.497434  0.638648  1
  H  H88  1  0.882486  1.002507  0.624616  1
  H  H89  1  0.053617  0.332966  0.632827  1
  H  H90  1  0.222780  0.663006  0.641313  1
  H  H91  1  0.655911  0.826854  0.647483  1
  H  H92  1  0.825534  0.156694  0.655258  1
  H  H93  1  0.997144  0.487395  0.663906  1
  H  H94  1  0.382207  0.992181  0.650189  1
  H  H95  1  0.554360  0.321904  0.658142  1
  H  H96  1  0.725774  0.653130  0.666525  1
  H  H97  1  0.162749  0.817305  0.672852  1
  H  H98  1  0.333157  0.146186  0.680559  1
  H  H99  1  0.502868  0.474500  0.688548  1
  H  H100  1  0.876362  0.983033  0.675506  1
  H  H101  1  0.048365  0.310647  0.683414  1
  H  H102  1  0.229163  0.643272  0.692093  1
  H  H103  1  0.671840  0.810511  0.699656  1
  H  H104  1  0.840053  0.135133  0.707766  1
  H  H105  1  0.014008  0.461118  0.715714  1
  H  H106  1  0.359860  0.971510  0.703409  1
  H  H107  1  0.536442  0.299906  0.710849  1
  H  H108  1  0.727398  0.626706  0.717649  1
