# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79612756
_cell_length_b   5.76680875
_cell_length_c   45.82317373
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.28282521
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H80
_cell_volume   1330.20920749
_cell_formula_units_Z   40
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  0.925938  0.786030  0.291115  1
  H  H2  1  0.448366  0.774855  0.279752  1
  H  H3  1  0.925938  0.286030  0.291115  1
  H  H4  1  0.448366  0.274855  0.279752  1
  H  H5  1  0.885577  0.806139  0.311565  1
  H  H6  1  0.408005  0.794964  0.300201  1
  H  H7  1  0.885577  0.306139  0.311565  1
  H  H8  1  0.408005  0.294964  0.300201  1
  H  H9  1  0.837823  0.829933  0.335760  1
  H  H10  1  0.360251  0.818758  0.324396  1
  H  H11  1  0.837823  0.329933  0.335760  1
  H  H12  1  0.360251  0.318758  0.324396  1
  H  H13  1  0.794033  0.851751  0.357946  1
  H  H14  1  0.316461  0.840576  0.346583  1
  H  H15  1  0.794033  0.351751  0.357946  1
  H  H16  1  0.316461  0.340576  0.346583  1
  H  H17  1  0.748610  0.874382  0.380960  1
  H  H18  1  0.271038  0.863207  0.369597  1
  H  H19  1  0.748610  0.374382  0.380960  1
  H  H20  1  0.271038  0.363207  0.369597  1
  H  H21  1  0.703974  0.896622  0.403576  1
  H  H22  1  0.226402  0.885447  0.392212  1
  H  H23  1  0.703974  0.396622  0.403576  1
  H  H24  1  0.226402  0.385447  0.392212  1
  H  H25  1  0.658980  0.919040  0.426372  1
  H  H26  1  0.181408  0.907865  0.415009  1
  H  H27  1  0.658980  0.419040  0.426372  1
  H  H28  1  0.181408  0.407865  0.415009  1
  H  H29  1  0.614154  0.941374  0.449084  1
  H  H30  1  0.136583  0.930199  0.437720  1
  H  H31  1  0.614154  0.441374  0.449084  1
  H  H32  1  0.136583  0.430199  0.437720  1
  H  H33  1  0.569250  0.963748  0.471835  1
  H  H34  1  0.091678  0.952573  0.460472  1
  H  H35  1  0.569250  0.463748  0.471835  1
  H  H36  1  0.091678  0.452573  0.460472  1
  H  H37  1  0.524384  0.986102  0.494567  1
  H  H38  1  0.046813  0.974927  0.483203  1
  H  H39  1  0.524384  0.486102  0.494567  1
  H  H40  1  0.046813  0.474927  0.483203  1
  H  H41  1  0.479495  0.008468  0.517311  1
  H  H42  1  0.001923  0.997293  0.505947  1
  H  H43  1  0.479495  0.508468  0.517311  1
  H  H44  1  0.001923  0.497293  0.505947  1
  H  H45  1  0.434630  0.030821  0.540042  1
  H  H46  1  0.957058  0.019647  0.528678  1
  H  H47  1  0.434630  0.530821  0.540042  1
  H  H48  1  0.957058  0.519647  0.528678  1
  H  H49  1  0.389725  0.053195  0.562793  1
  H  H50  1  0.912153  0.042020  0.551430  1
  H  H51  1  0.389725  0.553195  0.562793  1
  H  H52  1  0.912153  0.542020  0.551430  1
  H  H53  1  0.344899  0.075529  0.585505  1
  H  H54  1  0.867328  0.064354  0.574141  1
  H  H55  1  0.344899  0.575529  0.585505  1
  H  H56  1  0.867328  0.564354  0.574141  1
  H  H57  1  0.299905  0.097947  0.608302  1
  H  H58  1  0.822334  0.086772  0.596938  1
  H  H59  1  0.299905  0.597947  0.608302  1
  H  H60  1  0.822334  0.586772  0.596938  1
  H  H61  1  0.255269  0.120187  0.630917  1
  H  H62  1  0.777698  0.109012  0.619553  1
  H  H63  1  0.255269  0.620187  0.630917  1
  H  H64  1  0.777698  0.609012  0.619553  1
  H  H65  1  0.209846  0.142818  0.653931  1
  H  H66  1  0.732275  0.131644  0.642567  1
  H  H67  1  0.209846  0.642818  0.653931  1
  H  H68  1  0.732275  0.631644  0.642567  1
  H  H69  1  0.166057  0.164637  0.676117  1
  H  H70  1  0.688485  0.153462  0.664754  1
  H  H71  1  0.166057  0.664637  0.676117  1
  H  H72  1  0.688485  0.653462  0.664754  1
  H  H73  1  0.118302  0.188430  0.700313  1
  H  H74  1  0.640731  0.177255  0.688949  1
  H  H75  1  0.118302  0.688430  0.700313  1
  H  H76  1  0.640731  0.677255  0.688949  1
  H  H77  1  0.077941  0.208539  0.720762  1
  H  H78  1  0.600370  0.197365  0.709398  1
  H  H79  1  0.077941  0.708539  0.720762  1
  H  H80  1  0.600370  0.697365  0.709398  1
