# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.88749502
_cell_length_b   9.18973731
_cell_length_c   48.63203994
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.91787238
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H36
_cell_volume   3476.71184375
_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  0.693054  0.552776  0.281250  1
  H  H2  1  0.917622  0.001911  0.306250  1
  H  H3  1  0.472005  0.777343  0.293750  1
  H  H4  1  0.696573  0.226479  0.318750  1
  H  H5  1  0.142190  0.451047  0.331250  1
  H  H6  1  0.366758  0.900182  0.356250  1
  H  H7  1  0.921141  0.675615  0.343750  1
  H  H8  1  0.145708  0.124750  0.368750  1
  H  H9  1  0.591326  0.349318  0.381250  1
  H  H10  1  0.815894  0.798454  0.406250  1
  H  H11  1  0.370276  0.573886  0.393750  1
  H  H12  1  0.594844  0.023022  0.418750  1
  H  H13  1  0.040461  0.247589  0.431250  1
  H  H14  1  0.265029  0.696725  0.456250  1
  H  H15  1  0.819412  0.472157  0.443750  1
  H  H16  1  0.043980  0.921293  0.468750  1
  H  H17  1  0.489597  0.145861  0.481250  1
  H  H18  1  0.714165  0.594996  0.506250  1
  H  H19  1  0.268548  0.370428  0.493750  1
  H  H20  1  0.493115  0.819564  0.518750  1
  H  H21  1  0.938733  0.044132  0.531250  1
  H  H22  1  0.163300  0.493267  0.556250  1
  H  H23  1  0.717683  0.268700  0.543750  1
  H  H24  1  0.942251  0.717835  0.568750  1
  H  H25  1  0.387868  0.942403  0.581250  1
  H  H26  1  0.612436  0.391539  0.606250  1
  H  H27  1  0.166819  0.166971  0.593750  1
  H  H28  1  0.391387  0.616106  0.618750  1
  H  H29  1  0.837004  0.840674  0.631250  1
  H  H30  1  0.061572  0.289810  0.656250  1
  H  H31  1  0.615954  0.065242  0.643750  1
  H  H32  1  0.840522  0.514378  0.668750  1
  H  H33  1  0.286139  0.738945  0.681250  1
  H  H34  1  0.510707  0.188081  0.706250  1
  H  H35  1  0.065090  0.963513  0.693750  1
  H  H36  1  0.289658  0.412649  0.718750  1
