# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75546736
_cell_length_b   10.11885294
_cell_length_c   47.71681116
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.48680160
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H88
_cell_volume   3074.96418694
_cell_formula_units_Z   44
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  0.458385  0.584197  0.316289  1
  H  H2  1  0.218820  0.105066  0.296289  1
  H  H3  1  0.005268  0.344632  0.306289  1
  H  H4  1  0.765703  0.865501  0.286289  1
  H  H5  1  0.967319  0.268737  0.303121  1
  H  H6  1  0.727756  0.789606  0.283121  1
  H  H7  1  0.420434  0.508302  0.313121  1
  H  H8  1  0.180869  0.029172  0.293121  1
  H  H9  1  0.937515  0.542458  0.356289  1
  H  H10  1  0.697950  0.063327  0.336289  1
  H  H11  1  0.484400  0.302892  0.346289  1
  H  H12  1  0.244835  0.823762  0.326289  1
  H  H13  1  0.446449  0.226998  0.343121  1
  H  H14  1  0.206884  0.747867  0.323121  1
  H  H15  1  0.899565  0.466563  0.353121  1
  H  H16  1  0.659999  0.987433  0.333121  1
  H  H17  1  0.416646  0.500719  0.396289  1
  H  H18  1  0.177081  0.021588  0.376289  1
  H  H19  1  0.963530  0.261153  0.386289  1
  H  H20  1  0.723965  0.782023  0.366289  1
  H  H21  1  0.925580  0.185259  0.383121  1
  H  H22  1  0.686015  0.706128  0.363121  1
  H  H23  1  0.378695  0.424824  0.393121  1
  H  H24  1  0.139130  0.945694  0.373121  1
  H  H25  1  0.895776  0.458980  0.436289  1
  H  H26  1  0.656211  0.979850  0.416289  1
  H  H27  1  0.442661  0.219414  0.426289  1
  H  H28  1  0.203096  0.740284  0.406289  1
  H  H29  1  0.404710  0.143520  0.423121  1
  H  H30  1  0.165145  0.664389  0.403121  1
  H  H31  1  0.857826  0.383086  0.433121  1
  H  H32  1  0.618260  0.903955  0.413121  1
  H  H33  1  0.374907  0.417241  0.476289  1
  H  H34  1  0.135342  0.938111  0.456289  1
  H  H35  1  0.921792  0.177676  0.466289  1
  H  H36  1  0.682226  0.698545  0.446289  1
  H  H37  1  0.883841  0.101781  0.463121  1
  H  H38  1  0.644276  0.622651  0.443121  1
  H  H39  1  0.336956  0.341347  0.473121  1
  H  H40  1  0.097391  0.862216  0.453121  1
  H  H41  1  0.854038  0.375502  0.516289  1
  H  H42  1  0.614472  0.896372  0.496289  1
  H  H43  1  0.400922  0.135937  0.506289  1
  H  H44  1  0.161357  0.656806  0.486289  1
  H  H45  1  0.362972  0.060042  0.503121  1
  H  H46  1  0.123406  0.580912  0.483121  1
  H  H47  1  0.816087  0.299608  0.513121  1
  H  H48  1  0.576522  0.820477  0.493121  1
  H  H49  1  0.333168  0.333764  0.556289  1
  H  H50  1  0.093603  0.854633  0.536289  1
  H  H51  1  0.880053  0.094198  0.546289  1
  H  H52  1  0.640488  0.615067  0.526289  1
  H  H53  1  0.842102  0.018304  0.543121  1
  H  H54  1  0.602537  0.539173  0.523121  1
  H  H55  1  0.295218  0.257869  0.553121  1
  H  H56  1  0.055652  0.778739  0.533121  1
  H  H57  1  0.812299  0.292025  0.596289  1
  H  H58  1  0.572733  0.812894  0.576289  1
  H  H59  1  0.359183  0.052459  0.586289  1
  H  H60  1  0.119618  0.573329  0.566289  1
  H  H61  1  0.321233  0.976565  0.583121  1
  H  H62  1  0.081667  0.497434  0.563121  1
  H  H63  1  0.774348  0.216130  0.593121  1
  H  H64  1  0.534783  0.737000  0.573121  1
  H  H65  1  0.291429  0.250286  0.636289  1
  H  H66  1  0.051864  0.771155  0.616289  1
  H  H67  1  0.838314  0.010720  0.626289  1
  H  H68  1  0.598749  0.531590  0.606289  1
  H  H69  1  0.800363  0.934826  0.623121  1
  H  H70  1  0.560798  0.455695  0.603121  1
  H  H71  1  0.253479  0.174392  0.633121  1
  H  H72  1  0.013913  0.695261  0.613121  1
  H  H73  1  0.770560  0.208547  0.676289  1
  H  H74  1  0.530995  0.729417  0.656289  1
  H  H75  1  0.317445  0.968982  0.666289  1
  H  H76  1  0.077879  0.489851  0.646289  1
  H  H77  1  0.279494  0.893087  0.663121  1
  H  H78  1  0.039929  0.413956  0.643121  1
  H  H79  1  0.732609  0.132653  0.673121  1
  H  H80  1  0.493044  0.653522  0.653121  1
  H  H81  1  0.249688  0.166808  0.716289  1
  H  H82  1  0.010125  0.687677  0.696289  1
  H  H83  1  0.796575  0.927242  0.706289  1
  H  H84  1  0.557010  0.448112  0.686289  1
  H  H85  1  0.758624  0.851348  0.703121  1
  H  H86  1  0.519059  0.372218  0.683121  1
  H  H87  1  0.211741  0.090913  0.713121  1
  H  H88  1  0.972176  0.611782  0.693121  1
