# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42855200
_cell_length_b   19.57292259
_cell_length_c   49.68511118
_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   H60
_cell_volume   5279.17363832
_cell_formula_units_Z   30
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  0.564103  0.356061  1
  H  H2  1  0.500000  0.333333  0.295455  1
  H  H3  1  0.500000  0.948718  0.325758  1
  H  H4  1  0.000000  0.833333  0.295455  1
  H  H5  1  0.000000  0.448718  0.325758  1
  H  H6  1  0.000000  0.064103  0.356061  1
  H  H7  1  0.000000  0.641026  0.310606  1
  H  H8  1  0.000000  0.256410  0.340909  1
  H  H9  1  0.000000  0.025641  0.280303  1
  H  H10  1  0.500000  0.756410  0.340909  1
  H  H11  1  0.500000  0.525641  0.280303  1
  H  H12  1  0.500000  0.141026  0.310606  1
  H  H13  1  0.500000  0.410256  0.446970  1
  H  H14  1  0.500000  0.179487  0.386364  1
  H  H15  1  0.500000  0.794872  0.416667  1
  H  H16  1  0.000000  0.679487  0.386364  1
  H  H17  1  0.000000  0.294872  0.416667  1
  H  H18  1  0.000000  0.910256  0.446970  1
  H  H19  1  0.000000  0.487179  0.401515  1
  H  H20  1  0.000000  0.102564  0.431818  1
  H  H21  1  0.000000  0.871795  0.371212  1
  H  H22  1  0.500000  0.602564  0.431818  1
  H  H23  1  0.500000  0.371795  0.371212  1
  H  H24  1  0.500000  0.987179  0.401515  1
  H  H25  1  0.500000  0.256410  0.537879  1
  H  H26  1  0.500000  0.025641  0.477273  1
  H  H27  1  0.500000  0.641026  0.507576  1
  H  H28  1  0.000000  0.525641  0.477273  1
  H  H29  1  0.000000  0.141026  0.507576  1
  H  H30  1  0.000000  0.756410  0.537879  1
  H  H31  1  0.000000  0.333333  0.492424  1
  H  H32  1  0.000000  0.948718  0.522727  1
  H  H33  1  0.000000  0.717949  0.462121  1
  H  H34  1  0.500000  0.448718  0.522727  1
  H  H35  1  0.500000  0.217949  0.462121  1
  H  H36  1  0.500000  0.833333  0.492424  1
  H  H37  1  0.500000  0.102564  0.628788  1
  H  H38  1  0.500000  0.871795  0.568182  1
  H  H39  1  0.500000  0.487179  0.598485  1
  H  H40  1  0.000000  0.371795  0.568182  1
  H  H41  1  0.000000  0.987179  0.598485  1
  H  H42  1  0.000000  0.602564  0.628788  1
  H  H43  1  0.000000  0.179487  0.583333  1
  H  H44  1  0.000000  0.794872  0.613636  1
  H  H45  1  0.000000  0.564103  0.553030  1
  H  H46  1  0.500000  0.294872  0.613636  1
  H  H47  1  0.500000  0.064103  0.553030  1
  H  H48  1  0.500000  0.679487  0.583333  1
  H  H49  1  0.500000  0.948718  0.719697  1
  H  H50  1  0.500000  0.717949  0.659091  1
  H  H51  1  0.500000  0.333333  0.689394  1
  H  H52  1  0.000000  0.217949  0.659091  1
  H  H53  1  0.000000  0.833333  0.689394  1
  H  H54  1  0.000000  0.448718  0.719697  1
  H  H55  1  0.000000  0.025641  0.674242  1
  H  H56  1  0.000000  0.641026  0.704545  1
  H  H57  1  0.000000  0.410256  0.643939  1
  H  H58  1  0.500000  0.141026  0.704545  1
  H  H59  1  0.500000  0.910256  0.643939  1
  H  H60  1  0.500000  0.525641  0.674242  1
