# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.26652281
_cell_length_b   2.26652281
_cell_length_c   62.79695968
_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   H16
_cell_volume   322.595872089
_cell_formula_units_Z   8
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  0.580485  0.580485  0.196665  1
  H  H2  1  1.080485  1.080485  0.168512  1
  H  H3  1  0.580485  0.580485  0.252067  1
  H  H4  1  1.080485  1.080485  0.224297  1
  H  H5  1  0.580485  0.580485  0.307649  1
  H  H6  1  1.080485  1.080485  0.279858  1
  H  H7  1  0.580485  0.580485  0.363229  1
  H  H8  1  1.080485  1.080485  0.335439  1
  H  H9  1  0.580485  0.580485  0.418810  1
  H  H10  1  1.080485  1.080485  0.391019  1
  H  H11  1  0.580485  0.580485  0.474390  1
  H  H12  1  1.080485  1.080485  0.446600  1
  H  H13  1  0.580485  0.580485  0.529951  1
  H  H14  1  1.080485  1.080485  0.502182  1
  H  H15  1  0.580485  0.580485  0.585737  1
  H  H16  1  1.080485  1.080485  0.557584  1
