# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08109960
_cell_length_b   5.99526292
_cell_length_c   44.40605448
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   67.97907118
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H60
_cell_volume   1254.03559139
_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  0.851086  0.012866  0.340923  1
  H  H2  1  0.928054  0.611689  0.328251  1
  H  H3  1  0.463210  0.920029  0.321956  1
  H  H4  1  0.744484  0.402561  0.357109  1
  H  H5  1  0.651951  0.798071  0.370901  1
  H  H6  1  0.384641  0.315147  0.335185  1
  H  H7  1  0.291854  0.702464  0.350925  1
  H  H8  1  0.556718  0.185652  0.384499  1
  H  H9  1  0.462265  0.576175  0.398764  1
  H  H10  1  0.194920  0.102832  0.364369  1
  H  H11  1  0.101207  0.490709  0.378518  1
  H  H12  1  0.365633  0.966531  0.412203  1
  H  H13  1  0.272278  0.355302  0.426065  1
  H  H14  1  0.007255  0.883246  0.391583  1
  H  H15  1  0.911470  0.272210  0.405710  1
  H  H16  1  0.175942  0.746712  0.439672  1
  H  H17  1  0.081532  0.136413  0.453556  1
  H  H18  1  0.818125  0.662506  0.419232  1
  H  H19  1  0.723054  0.051896  0.432818  1
  H  H20  1  -0.012975  0.526565  0.467230  1
  H  H21  1  0.891881  0.916800  0.480975  1
  H  H22  1  0.628623  0.442000  0.446794  1
  H  H23  1  0.533703  0.832015  0.460352  1
  H  H24  1  0.797387  0.306705  0.494798  1
  H  H25  1  0.702526  0.696795  0.508471  1
  H  H26  1  0.439566  0.221556  0.474179  1
  H  H27  1  0.344311  0.612007  0.487887  1
  H  H28  1  0.607993  0.086636  0.522271  1
  H  H29  1  0.513055  0.476795  0.536003  1
  H  H30  1  0.249882  1.001756  0.501654  1
  H  H31  1  0.155255  0.391705  0.515390  1
  H  H32  1  0.418429  0.866745  0.549739  1
  H  H33  1  0.323999  0.256494  0.563506  1
  H  H34  1  0.060317  0.781865  0.529122  1
  H  H35  1  -0.034216  0.171706  0.542922  1
  H  H36  1  0.228745  0.646945  0.577214  1
  H  H37  1  0.134608  0.036485  0.591041  1
  H  H38  1  0.870923  0.561796  0.556595  1
  H  H39  1  0.776429  0.951701  0.570417  1
  H  H40  1  0.039687  0.426500  0.604598  1
  H  H41  1  0.945257  0.816605  0.618575  1
  H  H42  1  0.681286  0.341936  0.584163  1
  H  H43  1  0.586778  0.732087  0.597837  1
  H  H44  1  0.850185  0.205995  0.632160  1
  H  H45  1  0.756840  0.596290  0.645683  1
  H  H46  1  0.492368  0.121789  0.611721  1
  H  H47  1  0.396032  0.513199  0.625328  1
  H  H48  1  0.661056  0.985255  0.659810  1
  H  H49  1  0.567103  0.377791  0.672875  1
  H  H50  1  0.302677  0.901969  0.639190  1
  H  H51  1  0.206045  0.292325  0.652629  1
  H  H52  1  0.473391  0.765668  0.687024  1
  H  H53  1  0.376457  0.166037  0.700468  1
  H  H54  1  0.111592  0.682848  0.666893  1
  H  H55  1  0.016360  0.070429  0.680492  1
  H  H56  1  0.283669  0.553353  0.716207  1
  H  H57  1  0.205101  0.948472  0.729437  1
  H  H58  1  0.923826  0.465939  0.694283  1
  H  H59  1  0.817224  0.855634  0.710470  1
  H  H60  1  0.740256  0.256811  0.723141  1
