# 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   41.81619600
_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   214.376360961
_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  0.450948  0.359009  1
  H  H2  1  0.709237  0.950948  0.401214  1
  H  H3  1  0.209237  0.450948  0.442628  1
  H  H4  1  0.709237  0.950948  0.484246  1
  H  H5  1  0.209237  0.450948  0.525896  1
  H  H6  1  0.709237  0.950948  0.567546  1
  H  H7  1  0.209237  0.450948  0.609195  1
  H  H8  1  0.709237  0.950948  0.650846  1
  H  H9  1  0.209237  0.450948  0.692464  1
  H  H10  1  0.709237  0.950948  0.733877  1
  H  H11  1  0.209237  0.450948  0.776082  1
