# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90039811
_cell_length_b   13.29632798
_cell_length_c   48.96821540
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.43411317
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H28
_cell_volume   2512.07461531
_cell_formula_units_Z   14
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  0.532226  0.064453  0.313889  1
  H  H2  1  0.298716  0.597431  0.280556  1
  H  H3  1  0.904478  0.808956  0.319444  1
  H  H4  1  0.670967  0.341935  0.286111  1
  H  H5  1  0.999248  0.998496  0.380556  1
  H  H6  1  0.765737  0.531474  0.347222  1
  H  H7  1  0.371500  0.742999  0.386111  1
  H  H8  1  0.137989  0.275978  0.352778  1
  H  H9  1  0.466269  0.932539  0.447222  1
  H  H10  1  0.232759  0.465517  0.413889  1
  H  H11  1  0.838521  0.677042  0.452778  1
  H  H12  1  0.605010  0.210021  0.419444  1
  H  H13  1  0.933291  0.866582  0.513889  1
  H  H14  1  0.699780  0.399560  0.480556  1
  H  H15  1  0.305543  0.611086  0.519444  1
  H  H16  1  0.072032  0.144064  0.486111  1
  H  H17  1  0.400312  0.800625  0.580556  1
  H  H18  1  0.166802  0.333603  0.547222  1
  H  H19  1  0.772564  0.545129  0.586111  1
  H  H20  1  0.539054  0.078107  0.552778  1
  H  H21  1  0.867334  0.734668  0.647222  1
  H  H22  1  0.633823  0.267647  0.613889  1
  H  H23  1  0.239586  0.479172  0.652778  1
  H  H24  1  0.006075  0.012150  0.619444  1
  H  H25  1  0.334356  0.668711  0.713889  1
  H  H26  1  0.100845  0.201690  0.680556  1
  H  H27  1  0.706607  0.413215  0.719444  1
  H  H28  1  0.473097  0.946193  0.686111  1
