# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27079016
_cell_length_b   7.37717537
_cell_length_c   43.74564595
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H36
_cell_volume   732.827813332
_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  0.713022  0.533535  0.300085  1
  H  H2  1  0.213022  0.813694  0.311836  1
  H  H3  1  0.713022  0.092969  0.323370  1
  H  H4  1  0.213022  0.361845  0.337122  1
  H  H5  1  0.713022  0.637139  0.349418  1
  H  H6  1  0.213022  0.911258  0.361145  1
  H  H7  1  0.713022  0.182991  0.373678  1
  H  H8  1  0.213022  0.457836  0.386048  1
  H  H9  1  0.713022  0.732467  0.398203  1
  H  H10  1  0.213022  1.005602  0.410446  1
  H  H11  1  0.713022  0.279420  0.422784  1
  H  H12  1  0.213022  0.553713  0.435158  1
  H  H13  1  0.713022  0.827593  0.447443  1
  H  H14  1  0.213022  0.101323  0.459704  1
  H  H15  1  0.713022  0.375152  0.472031  1
  H  H16  1  0.213022  0.649074  0.484362  1
  H  H17  1  0.713022  0.922983  0.496646  1
  H  H18  1  0.213022  0.196836  0.508945  1
  H  H19  1  0.713022  0.470655  0.521269  1
  H  H20  1  0.213022  0.744507  0.533568  1
  H  H21  1  0.713022  1.018417  0.545852  1
  H  H22  1  0.213022  0.292338  0.558183  1
  H  H23  1  0.713022  0.566168  0.570509  1
  H  H24  1  0.213022  0.839898  0.582771  1
  H  H25  1  0.713022  0.113778  0.595055  1
  H  H26  1  0.213022  0.388071  0.607430  1
  H  H27  1  0.713022  0.661889  0.619767  1
  H  H28  1  0.213022  0.935024  0.632010  1
  H  H29  1  0.713022  0.209654  0.644165  1
  H  H30  1  0.213022  0.484499  0.656535  1
  H  H31  1  0.713022  0.756232  0.669068  1
  H  H32  1  0.213022  1.030351  0.680795  1
  H  H33  1  0.713022  0.305645  0.693092  1
  H  H34  1  0.213022  0.574521  0.706844  1
  H  H35  1  0.713022  0.853796  0.718377  1
  H  H36  1  0.213022  0.133955  0.730129  1
