# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41096894
_cell_length_b   3.98531909
_cell_length_c   45.00077264
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.93502277
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H54
_cell_volume   1093.08196965
_cell_formula_units_Z   27
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  0.939781  0.722462  0.305717  1
  H  H2  1  0.316591  0.460429  0.293208  1
  H  H3  1  0.730280  0.244050  0.287033  1
  H  H4  1  0.850220  0.322981  0.334032  1
  H  H5  1  0.194765  0.029101  0.317525  1
  H  H6  1  0.564879  0.786487  0.306236  1
  H  H7  1  0.793969  0.846877  0.357460  1
  H  H8  1  0.160429  0.536288  0.345078  1
  H  H9  1  0.519967  0.261366  0.333575  1
  H  H10  1  0.725776  0.374392  0.382916  1
  H  H11  1  0.093538  0.059173  0.369482  1
  H  H12  1  0.452618  0.774651  0.355683  1
  H  H13  1  0.668017  0.889265  0.407876  1
  H  H14  1  0.031524  0.576092  0.394232  1
  H  H15  1  0.397503  0.270961  0.381563  1
  H  H16  1  0.604815  0.407549  0.432884  1
  H  H17  1  0.969734  0.093401  0.418801  1
  H  H18  1  0.335987  0.781948  0.405045  1
  H  H19  1  0.544950  0.923987  0.457770  1
  H  H20  1  0.909851  0.608159  0.443659  1
  H  H21  1  0.274580  0.294235  0.429899  1
  H  H22  1  0.484568  0.440688  0.482620  1
  H  H23  1  0.849783  0.124229  0.468364  1
  H  H24  1  0.215023  0.808837  0.454275  1
  H  H25  1  0.425018  0.956528  0.507447  1
  H  H26  1  0.790165  0.639904  0.493213  1
  H  H27  1  0.155368  0.323565  0.479063  1
  H  H28  1  0.365394  0.472252  0.532125  1
  H  H29  1  0.730597  0.155913  0.517975  1
  H  H30  1  0.095743  0.839289  0.503741  1
  H  H31  1  0.305739  0.986980  0.556913  1
  H  H32  1  0.670979  0.671589  0.542824  1
  H  H33  1  0.036194  0.355130  0.528568  1
  H  H34  1  0.246181  0.501582  0.581289  1
  H  H35  1  0.610911  0.187659  0.567529  1
  H  H36  1  0.975812  0.871831  0.553418  1
  H  H37  1  0.184775  0.013869  0.606143  1
  H  H38  1  0.551027  0.702416  0.592387  1
  H  H39  1  0.915947  0.388269  0.578304  1
  H  H40  1  0.123259  0.524857  0.629625  1
  H  H41  1  0.489237  0.219726  0.616956  1
  H  H42  1  0.852745  0.906553  0.603312  1
  H  H43  1  0.068144  0.021166  0.655505  1
  H  H44  1  0.427224  0.736644  0.641706  1
  H  H45  1  0.794986  0.421426  0.628272  1
  H  H46  1  0.000794  0.534452  0.677613  1
  H  H47  1  0.360333  0.259529  0.666110  1
  H  H48  1  0.726793  0.948940  0.653728  1
  H  H49  1  0.955883  0.009330  0.704952  1
  H  H50  1  0.325997  0.766716  0.693663  1
  H  H51  1  0.670542  0.472836  0.677156  1
  H  H52  1  0.790482  0.551767  0.724155  1
  H  H53  1  0.204171  0.335388  0.717979  1
  H  H54  1  0.580981  0.073355  0.705471  1
