# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27791959
_cell_length_b   11.72582064
_cell_length_c   48.69207751
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.60907018
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H66
_cell_volume   1294.36129547
_cell_formula_units_Z   33
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  0.203918  0.896164  0.271119  1
  H  H2  1  0.364510  0.217580  0.284510  1
  H  H3  1  0.043445  0.575361  0.257767  1
  H  H4  1  0.778354  0.045172  0.294492  1
  H  H5  1  0.455239  0.399177  0.266827  1
  H  H6  1  0.617377  0.723155  0.281053  1
  H  H7  1  0.688333  0.865135  0.313619  1
  H  H8  1  0.849941  0.188529  0.326939  1
  H  H9  1  0.526540  0.541612  0.299833  1
  H  H10  1  0.263257  0.015079  0.336249  1
  H  H11  1  0.939805  0.368246  0.308714  1
  H  H12  1  0.101538  0.691595  0.322563  1
  H  H13  1  0.172936  0.834449  0.354951  1
  H  H14  1  0.334377  0.157430  0.368606  1
  H  H15  1  0.011219  0.511052  0.341110  1
  H  H16  1  0.747704  0.984052  0.377909  1
  H  H17  1  0.424519  0.337691  0.350201  1
  H  H18  1  0.586125  0.660863  0.364125  1
  H  H19  1  0.657466  0.803596  0.396536  1
  H  H20  1  0.818952  0.126626  0.410321  1
  H  H21  1  0.495848  0.480371  0.382676  1
  H  H22  1  0.232242  0.953199  0.419596  1
  H  H23  1  0.909107  0.306911  0.391839  1
  H  H24  1  0.070682  0.630056  0.405765  1
  H  H25  1  0.142015  0.772775  0.438168  1
  H  H26  1  0.303523  0.095827  0.452012  1
  H  H27  1  0.980431  0.449602  0.424298  1
  H  H28  1  0.716797  0.922378  0.461266  1
  H  H29  1  0.393701  0.276156  0.433507  1
  H  H30  1  0.555240  0.599247  0.447408  1
  H  H31  1  0.626571  0.741961  0.479812  1
  H  H32  1  0.788094  0.065031  0.493689  1
  H  H33  1  0.465009  0.418825  0.465943  1
  H  H34  1  0.201363  0.891578  0.502924  1
  H  H35  1  0.878279  0.245372  0.475178  1
  H  H36  1  0.039801  0.568442  0.489054  1
  H  H37  1  0.111132  0.711156  0.521458  1
  H  H38  1  0.272671  0.034247  0.535359  1
  H  H39  1  0.949575  0.388025  0.507600  1
  H  H40  1  0.685941  0.860801  0.544568  1
  H  H41  1  0.362850  0.214576  0.516854  1
  H  H42  1  0.524357  0.537629  0.530698  1
  H  H43  1  0.595690  0.680347  0.563101  1
  H  H44  1  0.757265  0.003492  0.577027  1
  H  H45  1  0.434130  0.357204  0.549270  1
  H  H46  1  0.170524  0.830032  0.586190  1
  H  H47  1  0.847420  0.183777  0.558545  1
  H  H48  1  0.008907  0.506807  0.572330  1
  H  H49  1  0.080247  0.649540  0.604741  1
  H  H50  1  0.241853  0.972712  0.618665  1
  H  H51  1  0.918669  0.326351  0.590958  1
  H  H52  1  0.655153  0.799351  0.627757  1
  H  H53  1  0.331995  0.152973  0.600260  1
  H  H54  1  0.493436  0.475954  0.613915  1
  H  H55  1  0.564834  0.618808  0.646303  1
  H  H56  1  0.726568  0.942157  0.660152  1
  H  H57  1  0.403116  0.295324  0.632617  1
  H  H58  1  0.139833  0.768791  0.669033  1
  H  H59  1  0.816431  0.121874  0.641927  1
  H  H60  1  0.978039  0.445269  0.655247  1
  H  H61  1  0.048995  0.587248  0.687813  1
  H  H62  1  0.211134  0.911226  0.702039  1
  H  H63  1  0.888018  0.265232  0.674374  1
  H  H64  1  0.622927  0.735042  0.711100  1
  H  H65  1  0.301862  0.092823  0.684356  1
  H  H66  1  0.462455  0.414239  0.697747  1
