# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45678800
_cell_length_b   4.45678800
_cell_length_c   48.98503149
_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   972.987685625
_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  0.500000  0.500000  0.313879  1
  H  H2  1  0.000000  0.000000  0.293263  1
  H  H3  1  0.000000  0.000000  0.349594  1
  H  H4  1  0.500000  0.500000  0.328978  1
  H  H5  1  0.500000  0.500000  0.385308  1
  H  H6  1  0.000000  0.000000  0.364692  1
  H  H7  1  0.000000  0.000000  0.421022  1
  H  H8  1  0.500000  0.500000  0.400406  1
  H  H9  1  0.500000  0.500000  0.456737  1
  H  H10  1  0.000000  0.000000  0.436121  1
  H  H11  1  0.000000  0.000000  0.492451  1
  H  H12  1  0.500000  0.500000  0.471835  1
  H  H13  1  0.500000  0.500000  0.528165  1
  H  H14  1  0.000000  0.000000  0.507549  1
  H  H15  1  0.000000  0.000000  0.563879  1
  H  H16  1  0.500000  0.500000  0.543263  1
  H  H17  1  0.500000  0.500000  0.599594  1
  H  H18  1  0.000000  0.000000  0.578978  1
  H  H19  1  0.000000  0.000000  0.635308  1
  H  H20  1  0.500000  0.500000  0.614692  1
  H  H21  1  0.500000  0.500000  0.671022  1
  H  H22  1  0.000000  0.000000  0.650406  1
  H  H23  1  0.000000  0.000000  0.706737  1
  H  H24  1  0.500000  0.500000  0.686121  1
