# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.37440147
_cell_length_b   4.89486389
_cell_length_c   68.28906552
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.55422227
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H39
_cell_volume   784.851653513
_cell_formula_units_Z   19
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  0.622448  1.222772  0.135553  1
  H  H2  1  0.892579  0.801244  0.144623  1
  H  H3  1  0.198874  0.446079  0.159553  1
  H  H4  1  0.469251  1.051902  0.168554  1
  H  H5  1  0.769988  0.691584  0.181469  1
  H  H6  1  1.038054  0.303599  0.191910  1
  H  H7  1  0.334783  0.936200  0.203806  1
  H  H8  1  0.612123  0.555744  0.214751  1
  H  H9  1  0.900258  1.183790  0.226353  1
  H  H10  1  0.181899  0.806609  0.237482  1
  H  H11  1  0.467131  0.433011  0.248927  1
  H  H12  1  0.749939  1.056974  0.260166  1
  H  H13  1  1.034381  0.682570  0.271539  1
  H  H14  1  0.317746  0.307089  0.282823  1
  H  H15  1  0.601810  0.932311  0.294167  1
  H  H16  1  0.885414  0.557072  0.305471  1
  H  H17  1  0.169316  1.182136  0.316801  1
  H  H18  1  0.453026  0.807006  0.328115  1
  H  H19  1  0.736851  0.431991  0.339438  1
  H  H20  1  1.020622  1.056923  0.350757  1
  H  H21  1  0.304393  0.681855  0.362075  1
  H  H22  1  0.588218  0.306839  0.373399  1
  H  H23  1  0.871927  0.931710  0.384712  1
  H  H24  1  0.155829  0.556774  0.396042  1
  H  H25  1  0.439433  1.181534  0.407346  1
  H  H26  1  0.723497  0.806757  0.418690  1
  H  H27  1  1.006863  0.431276  0.429974  1
  H  H28  1  0.291304  1.056871  0.441347  1
  H  H29  1  0.574113  0.680835  0.452586  1
  H  H30  1  0.859344  0.307236  0.464031  1
  H  H31  1  0.140985  0.930055  0.475160  1
  H  H32  1  0.429120  0.558102  0.486762  1
  H  H33  1  0.706460  1.177646  0.497708  1
  H  H34  1  1.003189  0.810247  0.509603  1
  H  H35  1  0.271255  0.422262  0.520044  1
  H  H36  1  0.571992  1.061944  0.532959  1
  H  H37  1  0.842369  0.667767  0.541961  1
  H  H38  1  0.148664  0.312602  0.556891  1
  H  H39  1  0.418795  0.891074  0.565960  1
