# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71726203
_cell_length_b   3.95784210
_cell_length_c   42.38924159
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.52085855
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H60
_cell_volume   1253.36634511
_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  0.373448  0.764755  0.353712  1
  H  H2  1  0.060060  0.649561  0.366778  1
  H  H3  1  0.693473  0.902048  0.340050  1
  H  H4  1  0.217628  0.206427  0.360590  1
  H  H5  1  0.913727  0.097121  0.376163  1
  H  H6  1  0.528996  0.327743  0.346555  1
  H  H7  1  0.450911  0.434093  0.397057  1
  H  H8  1  0.146425  0.331449  0.411091  1
  H  H9  1  0.757913  0.536988  0.382128  1
  H  H10  1  0.296925  0.882734  0.403808  1
  H  H11  1  -0.006639  0.775137  0.418063  1
  H  H12  1  0.603049  0.985964  0.390458  1
  H  H13  1  0.533286  0.118773  0.439742  1
  H  H14  1  0.227918  1.013428  0.453717  1
  H  H15  1  0.839642  0.223478  0.425638  1
  H  H16  1  0.380959  0.566723  0.446588  1
  H  H17  1  0.074928  0.459627  0.460887  1
  H  H18  1  0.687528  0.669589  0.432381  1
  H  H19  1  0.615687  0.800160  0.482310  1
  H  H20  1  0.309394  0.694321  0.496594  1
  H  H21  1  0.922075  0.906223  0.468009  1
  H  H22  1  0.462407  0.247574  0.489535  1
  H  H23  1  0.156471  0.141315  0.503730  1
  H  H24  1  0.768723  0.353318  0.475282  1
  H  H25  1  0.697402  0.482284  0.525156  1
  H  H26  1  0.391296  0.376432  0.539433  1
  H  H27  1  0.003488  0.588183  0.510851  1
  H  H28  1  0.544345  0.929295  0.532277  1
  H  H29  1  0.238302  0.823370  0.546544  1
  H  H30  1  0.850495  1.035174  0.517990  1
  H  H31  1  0.779304  0.164480  0.567931  1
  H  H32  1  0.473154  0.058602  0.582218  1
  H  H33  1  0.085348  0.270405  0.553664  1
  H  H34  1  0.626247  0.611491  0.575052  1
  H  H35  1  0.320161  0.505592  0.589357  1
  H  H36  1  0.932353  0.717343  0.560775  1
  H  H37  1  0.861242  0.846201  0.610673  1
  H  H38  1  0.554926  0.740457  0.624926  1
  H  H39  1  0.167178  0.952460  0.596478  1
  H  H40  1  0.707963  0.293615  0.617898  1
  H  H41  1  0.401574  0.187552  0.632199  1
  H  H42  1  0.014255  0.399454  0.603614  1
  H  H43  1  0.942690  0.527052  0.653620  1
  H  H44  1  0.636121  0.424187  0.667827  1
  H  H45  1  0.248722  0.634148  0.639321  1
  H  H46  1  0.790363  0.975002  0.660466  1
  H  H47  1  0.484008  0.870297  0.674570  1
  H  H48  1  0.095731  0.080347  0.646491  1
  H  H49  1  0.026724  0.211042  0.696400  1
  H  H50  1  0.720601  0.107811  0.709750  1
  H  H51  1  0.330288  0.318639  0.682145  1
  H  H52  1  0.872738  0.659682  0.703151  1
  H  H53  1  0.565737  0.556787  0.718080  1
  H  H54  1  0.177224  0.762326  0.689117  1
  H  H55  1  0.106021  0.887348  0.739618  1
  H  H56  1  0.794653  0.766032  0.753653  1
  H  H57  1  0.409922  0.996654  0.724045  1
  H  H58  1  0.950202  0.329020  0.746496  1
  H  H59  1  0.630177  0.191727  0.760158  1
  H  H60  1  0.263589  0.444214  0.733430  1
