# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64152115
_cell_length_b   3.49951184
_cell_length_c   47.33977499
_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   H24
_cell_volume   603.276617812
_cell_formula_units_Z   12
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  0.894329  0.288462  1
  H  H2  1  0.000000  0.105671  0.288462  1
  H  H3  1  0.500000  0.394329  0.326923  1
  H  H4  1  0.500000  0.605671  0.326923  1
  H  H5  1  0.000000  0.894329  0.365385  1
  H  H6  1  0.000000  0.105671  0.365385  1
  H  H7  1  0.500000  0.394329  0.403846  1
  H  H8  1  0.500000  0.605671  0.403846  1
  H  H9  1  0.000000  0.894329  0.442308  1
  H  H10  1  0.000000  0.105671  0.442308  1
  H  H11  1  0.500000  0.394329  0.480769  1
  H  H12  1  0.500000  0.605671  0.480769  1
  H  H13  1  0.000000  0.894329  0.519231  1
  H  H14  1  0.000000  0.105671  0.519231  1
  H  H15  1  0.500000  0.394329  0.557692  1
  H  H16  1  0.500000  0.605671  0.557692  1
  H  H17  1  0.000000  0.894329  0.596154  1
  H  H18  1  0.000000  0.105671  0.596154  1
  H  H19  1  0.500000  0.394329  0.634615  1
  H  H20  1  0.500000  0.605671  0.634615  1
  H  H21  1  0.000000  0.894329  0.673077  1
  H  H22  1  0.000000  0.105671  0.673077  1
  H  H23  1  0.500000  0.394329  0.711538  1
  H  H24  1  0.500000  0.605671  0.711538  1
