# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.29380929
_cell_length_b   9.73912637
_cell_length_c   46.21074629
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.73317807
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H52
_cell_volume   1025.2140536
_cell_formula_units_Z   26
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  0.298174  0.593255  0.277824  1
  H  H2  1  0.024873  0.046819  0.292050  1
  H  H3  1  0.419520  0.835960  0.280043  1
  H  H4  1  0.144723  0.285873  0.295939  1
  H  H5  1  0.740163  0.477038  0.313889  1
  H  H6  1  0.460313  0.917439  0.327770  1
  H  H7  1  0.858512  0.713756  0.315935  1
  H  H8  1  0.578468  0.153506  0.331514  1
  H  H9  1  0.175672  0.347982  0.346955  1
  H  H10  1  0.897079  0.790734  0.363130  1
  H  H11  1  0.296338  0.589250  0.350673  1
  H  H12  1  0.015037  0.026529  0.366303  1
  H  H13  1  0.613155  0.222813  0.380974  1
  H  H14  1  0.333339  0.663083  0.398081  1
  H  H15  1  0.732823  0.462066  0.384280  1
  H  H16  1  0.452168  0.900625  0.401220  1
  H  H17  1  0.050863  0.098034  0.415334  1
  H  H18  1  0.769905  0.536043  0.432482  1
  H  H19  1  0.170264  0.336771  0.418458  1
  H  H20  1  0.889330  0.774782  0.435775  1
  H  H21  1  0.488413  0.972956  0.449814  1
  H  H22  1  0.207017  0.410086  0.466895  1
  H  H23  1  0.607749  0.211550  0.452819  1
  H  H24  1  0.326472  0.648897  0.470070  1
  H  H25  1  0.925734  0.847424  0.484213  1
  H  H26  1  0.644322  0.284512  0.501328  1
  H  H27  1  0.045165  0.086197  0.487268  1
  H  H28  1  0.763753  0.523286  0.504383  1
  H  H29  1  0.363015  0.721813  0.518527  1
  H  H30  1  0.081738  0.159160  0.535777  1
  H  H31  1  0.482470  0.960624  0.521701  1
  H  H32  1  0.201074  0.397754  0.538782  1
  H  H33  1  0.800157  0.595928  0.552822  1
  H  H34  1  0.519223  0.033939  0.570139  1
  H  H35  1  0.919582  0.834667  0.556114  1
  H  H36  1  0.638624  0.272676  0.573263  1
  H  H37  1  0.237319  0.470085  0.587377  1
  H  H38  1  0.956664  0.908644  0.604316  1
  H  H39  1  0.356148  0.707627  0.590515  1
  H  H40  1  0.076332  0.147897  0.607623  1
  H  H41  1  0.674450  0.344181  0.622293  1
  H  H42  1  0.393150  0.781460  0.637924  1
  H  H43  1  0.792408  0.579976  0.625466  1
  H  H44  1  0.513816  0.022728  0.641641  1
  H  H45  1  0.111019  0.217204  0.657083  1
  H  H46  1  0.830975  0.656954  0.672661  1
  H  H47  1  0.229174  0.453271  0.660826  1
  H  H48  1  0.949324  0.893672  0.674707  1
  H  H49  1  0.544764  0.084837  0.692657  1
  H  H50  1  0.269967  0.534750  0.708554  1
  H  H51  1  0.664614  0.323891  0.696547  1
  H  H52  1  0.391313  0.777455  0.710773  1
