# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49893079
_cell_length_b   9.96568093
_cell_length_c   51.82154083
_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   H48
_cell_volume   1806.9771148
_cell_formula_units_Z   24
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  0.605689  0.375000  0.336538  1
  H  H2  1  0.605689  0.975000  0.298077  1
  H  H3  1  0.894311  0.675000  0.317308  1
  H  H4  1  0.894311  0.275000  0.278846  1
  H  H5  1  0.105689  0.675000  0.317308  1
  H  H6  1  0.105689  0.275000  0.278846  1
  H  H7  1  0.394311  0.375000  0.336538  1
  H  H8  1  0.394311  0.975000  0.298077  1
  H  H9  1  0.605689  0.175000  0.413462  1
  H  H10  1  0.605689  0.775000  0.375000  1
  H  H11  1  0.894311  0.475000  0.394231  1
  H  H12  1  0.894311  0.075000  0.355769  1
  H  H13  1  0.105689  0.475000  0.394231  1
  H  H14  1  0.105689  0.075000  0.355769  1
  H  H15  1  0.394311  0.175000  0.413462  1
  H  H16  1  0.394311  0.775000  0.375000  1
  H  H17  1  0.605689  0.975000  0.490385  1
  H  H18  1  0.605689  0.575000  0.451923  1
  H  H19  1  0.894311  0.275000  0.471154  1
  H  H20  1  0.894311  0.875000  0.432692  1
  H  H21  1  0.105689  0.275000  0.471154  1
  H  H22  1  0.105689  0.875000  0.432692  1
  H  H23  1  0.394311  0.975000  0.490385  1
  H  H24  1  0.394311  0.575000  0.451923  1
  H  H25  1  0.605689  0.775000  0.567308  1
  H  H26  1  0.605689  0.375000  0.528846  1
  H  H27  1  0.894311  0.075000  0.548077  1
  H  H28  1  0.894311  0.675000  0.509615  1
  H  H29  1  0.105689  0.075000  0.548077  1
  H  H30  1  0.105689  0.675000  0.509615  1
  H  H31  1  0.394311  0.775000  0.567308  1
  H  H32  1  0.394311  0.375000  0.528846  1
  H  H33  1  0.605689  0.575000  0.644231  1
  H  H34  1  0.605689  0.175000  0.605769  1
  H  H35  1  0.894311  0.875000  0.625000  1
  H  H36  1  0.894311  0.475000  0.586538  1
  H  H37  1  0.105689  0.875000  0.625000  1
  H  H38  1  0.105689  0.475000  0.586538  1
  H  H39  1  0.394311  0.575000  0.644231  1
  H  H40  1  0.394311  0.175000  0.605769  1
  H  H41  1  0.605689  0.375000  0.721154  1
  H  H42  1  0.605689  0.975000  0.682692  1
  H  H43  1  0.894311  0.675000  0.701923  1
  H  H44  1  0.894311  0.275000  0.663462  1
  H  H45  1  0.105689  0.675000  0.701923  1
  H  H46  1  0.105689  0.275000  0.663462  1
  H  H47  1  0.394311  0.375000  0.721154  1
  H  H48  1  0.394311  0.975000  0.682692  1
