# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42396017
_cell_length_b   3.93869247
_cell_length_c   47.00749266
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.43440896
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H36
_cell_volume   738.892279327
_cell_formula_units_Z   18
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  0.361599  0.517827  0.283874  1
  H  H2  1  0.943972  0.314135  0.271923  1
  H  H3  1  0.260774  0.042641  0.311126  1
  H  H4  1  0.793925  0.893967  0.295899  1
  H  H5  1  0.169420  0.586718  0.334192  1
  H  H6  1  0.719605  0.443024  0.321515  1
  H  H7  1  0.086310  0.131799  0.359211  1
  H  H8  1  0.635303  0.998148  0.345764  1
  H  H9  1  1.001065  0.679153  0.383258  1
  H  H10  1  0.546853  0.551730  0.369634  1
  H  H11  1  0.915893  0.230090  0.407537  1
  H  H12  1  0.465125  0.103060  0.393822  1
  H  H13  1  0.831071  0.780734  0.431710  1
  H  H14  1  0.379304  0.655273  0.417785  1
  H  H15  1  0.745641  0.332274  0.455849  1
  H  H16  1  0.294745  0.206484  0.441937  1
  H  H17  1  0.660653  0.883599  0.479997  1
  H  H18  1  0.209642  0.757978  0.466033  1
  H  H19  1  0.575440  0.435017  0.504125  1
  H  H20  1  0.124429  0.309396  0.490161  1
  H  H21  1  0.490337  0.986511  0.528221  1
  H  H22  1  0.039441  0.860721  0.514309  1
  H  H23  1  0.405778  0.537722  0.552373  1
  H  H24  1  0.954011  0.412260  0.538448  1
  H  H25  1  0.319957  0.089934  0.576336  1
  H  H26  1  0.869189  0.962904  0.562621  1
  H  H27  1  0.238229  0.641265  0.600523  1
  H  H28  1  0.784017  0.513842  0.586899  1
  H  H29  1  0.149779  0.194847  0.624394  1
  H  H30  1  0.698772  0.061195  0.610947  1
  H  H31  1  0.065477  0.749971  0.648643  1
  H  H32  1  0.615662  0.606277  0.635966  1
  H  H33  1  0.991157  0.299028  0.674259  1
  H  H34  1  0.524308  0.150354  0.659032  1
  H  H35  1  0.841110  0.878860  0.698235  1
  H  H36  1  0.423483  0.675167  0.686284  1
