# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.26548943
_cell_length_b   2.26548943
_cell_length_c   41.92544357
_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   215.179923118
_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  0.663535  0.675493  0.363576  1
  H  H2  1  0.163535  0.175493  0.405767  1
  H  H3  1  0.663535  0.675493  0.447182  1
  H  H4  1  0.163535  0.175493  0.488801  1
  H  H5  1  0.663535  0.675493  0.530453  1
  H  H6  1  0.163535  0.175493  0.572103  1
  H  H7  1  0.663535  0.675493  0.613754  1
  H  H8  1  0.163535  0.175493  0.655405  1
  H  H9  1  0.663535  0.675493  0.697025  1
  H  H10  1  0.163535  0.175493  0.738440  1
  H  H11  1  0.663535  0.675493  0.780630  1
