# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13119765
_cell_length_b   14.48317139
_cell_length_c   49.12194822
_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   3650.54743583
_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  0.000000  0.839986  0.345238  1
  H  H2  1  0.500000  0.236079  0.321429  1
  H  H3  1  0.000000  0.632172  0.297619  1
  H  H4  1  0.000000  0.069412  0.321429  1
  H  H5  1  0.500000  0.465505  0.297619  1
  H  H6  1  0.500000  0.673319  0.345238  1
  H  H7  1  0.500000  0.651707  0.416667  1
  H  H8  1  0.000000  0.047800  0.392857  1
  H  H9  1  0.500000  0.443893  0.369048  1
  H  H10  1  0.500000  0.881133  0.392857  1
  H  H11  1  0.000000  0.277226  0.369048  1
  H  H12  1  0.000000  0.485040  0.416667  1
  H  H13  1  0.000000  0.463428  0.488095  1
  H  H14  1  0.500000  0.859521  0.464286  1
  H  H15  1  0.000000  0.255614  0.440476  1
  H  H16  1  0.000000  0.692855  0.464286  1
  H  H17  1  0.500000  0.088947  0.440476  1
  H  H18  1  0.500000  0.296762  0.488095  1
  H  H19  1  0.500000  0.275149  0.559524  1
  H  H20  1  0.000000  0.671242  0.535714  1
  H  H21  1  0.500000  0.067335  0.511905  1
  H  H22  1  0.500000  0.504576  0.535714  1
  H  H23  1  0.000000  0.900669  0.511905  1
  H  H24  1  0.000000  0.108483  0.559524  1
  H  H25  1  0.000000  0.086871  0.630952  1
  H  H26  1  0.500000  0.482964  0.607143  1
  H  H27  1  0.000000  0.879057  0.583333  1
  H  H28  1  0.000000  0.316297  0.607143  1
  H  H29  1  0.500000  0.712390  0.583333  1
  H  H30  1  0.500000  0.920204  0.630952  1
  H  H31  1  0.500000  0.898592  0.702381  1
  H  H32  1  0.000000  0.294685  0.678571  1
  H  H33  1  0.500000  0.690778  0.654762  1
  H  H34  1  0.500000  0.128018  0.678571  1
  H  H35  1  0.000000  0.524111  0.654762  1
  H  H36  1  0.000000  0.731925  0.702381  1
