# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   1.06615731
_cell_length_b   4.91973262
_cell_length_c   46.13461830
_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   H14
_cell_volume   241.985709998
_cell_formula_units_Z   7
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  0.255728  0.296875  1
  H  H2  1  0.000000  0.756331  0.328125  1
  H  H3  1  0.000000  0.256933  0.359375  1
  H  H4  1  0.000000  0.757536  0.390625  1
  H  H5  1  0.000000  0.258139  0.421875  1
  H  H6  1  0.000000  0.758742  0.453125  1
  H  H7  1  0.000000  0.259345  0.484375  1
  H  H8  1  0.000000  0.759948  0.515625  1
  H  H9  1  0.000000  0.260551  0.546875  1
  H  H10  1  0.000000  0.761154  0.578125  1
  H  H11  1  0.000000  0.261757  0.609375  1
  H  H12  1  0.000000  0.762360  0.640625  1
  H  H13  1  0.000000  0.262963  0.671875  1
  H  H14  1  0.000000  0.763566  0.703125  1
