# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.30929828
_cell_length_b   9.96526068
_cell_length_c   49.55328792
_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   1140.35789031
_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  0.601066  0.952245  0.251256  1
  H  H2  1  0.601066  0.252764  0.264946  1
  H  H3  1  0.601066  0.573887  0.283090  1
  H  H4  1  1.101066  0.752764  0.264946  1
  H  H5  1  1.101066  0.073887  0.283090  1
  H  H6  1  1.101066  0.452245  0.251256  1
  H  H7  1  0.601066  0.885586  0.296792  1
  H  H8  1  0.601066  0.204594  0.312614  1
  H  H9  1  0.601066  0.518323  0.327562  1
  H  H10  1  1.101066  0.704594  0.312614  1
  H  H11  1  1.101066  0.018323  0.327562  1
  H  H12  1  1.101066  0.385586  0.296792  1
  H  H13  1  0.601066  0.835064  0.342637  1
  H  H14  1  0.601066  0.150483  0.357771  1
  H  H15  1  0.601066  0.466250  0.372926  1
  H  H16  1  1.101066  0.650483  0.357771  1
  H  H17  1  1.101066  0.966250  0.372926  1
  H  H18  1  1.101066  0.335064  0.342637  1
  H  H19  1  0.601066  0.781966  0.388011  1
  H  H20  1  0.601066  0.097735  0.403159  1
  H  H21  1  0.601066  0.413416  0.418283  1
  H  H22  1  1.101066  0.597735  0.403159  1
  H  H23  1  1.101066  0.913416  0.418283  1
  H  H24  1  1.101066  0.281966  0.388011  1
  H  H25  1  0.601066  0.729167  0.433407  1
  H  H26  1  0.601066  0.044887  0.448536  1
  H  H27  1  0.601066  0.360613  0.463664  1
  H  H28  1  1.101066  0.544887  0.448536  1
  H  H29  1  1.101066  0.860613  0.463664  1
  H  H30  1  1.101066  0.229167  0.433407  1
  H  H31  1  0.601066  0.676342  0.478789  1
  H  H32  1  0.601066  0.992067  0.493917  1
  H  H33  1  0.601066  0.307787  0.509046  1
  H  H34  1  1.101066  0.492067  0.493917  1
  H  H35  1  1.101066  0.807787  0.509046  1
  H  H36  1  1.101066  0.176342  0.478789  1
  H  H37  1  0.601066  0.623539  0.524170  1
  H  H38  1  0.601066  0.939219  0.539294  1
  H  H39  1  0.601066  0.254989  0.554442  1
  H  H40  1  1.101066  0.439219  0.539294  1
  H  H41  1  1.101066  0.754989  0.554442  1
  H  H42  1  1.101066  0.123539  0.524170  1
  H  H43  1  0.601066  0.570704  0.569527  1
  H  H44  1  0.601066  0.886471  0.584682  1
  H  H45  1  0.601066  0.201891  0.599816  1
  H  H46  1  1.101066  0.386471  0.584682  1
  H  H47  1  1.101066  0.701891  0.599816  1
  H  H48  1  1.101066  0.070704  0.569527  1
  H  H49  1  0.601066  0.518631  0.614892  1
  H  H50  1  0.601066  0.832360  0.629839  1
  H  H51  1  0.601066  0.151369  0.645661  1
  H  H52  1  1.101066  0.332360  0.629839  1
  H  H53  1  1.101066  0.651369  0.645661  1
  H  H54  1  1.101066  0.018631  0.614892  1
  H  H55  1  0.601066  0.463067  0.659363  1
  H  H56  1  0.601066  0.784191  0.677507  1
  H  H57  1  0.601066  0.084709  0.691197  1
  H  H58  1  1.101066  0.284191  0.677507  1
  H  H59  1  1.101066  0.584709  0.691197  1
  H  H60  1  1.101066  0.963067  0.659363  1
