# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.26420730
_cell_length_b   2.26420730
_cell_length_c   41.81675500
_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   H11
_cell_volume   214.379226775
_cell_formula_units_Z   5
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  0.209237  0.674213  0.363931  1
  H  H2  1  0.709237  0.174213  0.406135  1
  H  H3  1  0.209237  0.674213  0.447548  1
  H  H4  1  0.709237  0.174213  0.489165  1
  H  H5  1  0.209237  0.674213  0.530815  1
  H  H6  1  0.709237  0.174213  0.572464  1
  H  H7  1  0.209237  0.674213  0.614113  1
  H  H8  1  0.709237  0.174213  0.655763  1
  H  H9  1  0.209237  0.674213  0.697381  1
  H  H10  1  0.709237  0.174213  0.738793  1
  H  H11  1  0.209237  0.674213  0.780998  1
