# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27385111
_cell_length_b   8.00727903
_cell_length_c   47.80294234
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.76521478
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H44
_cell_volume   861.391452865
_cell_formula_units_Z   22
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  0.399815  0.712436  0.272852  1
  H  H2  1  0.166419  0.179038  0.294383  1
  H  H3  1  0.260155  0.991238  0.258763  1
  H  H4  1  0.031905  0.448434  0.278462  1
  H  H5  1  0.934035  0.644161  0.314917  1
  H  H6  1  0.700209  0.111759  0.336027  1
  H  H7  1  0.797009  0.917938  0.300659  1
  H  H8  1  0.562828  0.386552  0.321022  1
  H  H9  1  0.467155  0.578145  0.356716  1
  H  H10  1  0.233883  0.044642  0.377644  1
  H  H11  1  0.330270  0.851695  0.341844  1
  H  H12  1  0.096731  0.318906  0.362567  1
  H  H13  1  1.000668  0.511243  0.398446  1
  H  H14  1  0.767381  0.977874  0.419332  1
  H  H15  1  0.863566  0.785328  0.383464  1
  H  H16  1  0.630253  0.252044  0.404260  1
  H  H17  1  0.534149  0.444461  0.440155  1
  H  H18  1  0.300876  0.911090  0.461016  1
  H  H19  1  0.397029  0.718597  0.425130  1
  H  H20  1  0.163740  0.185266  0.445960  1
  H  H21  1  0.067631  0.377688  0.481854  1
  H  H22  1  0.834358  0.844325  0.502700  1
  H  H23  1  0.930503  0.651846  0.466810  1
  H  H24  1  0.697229  0.118483  0.487655  1
  H  H25  1  0.601121  0.310905  0.523549  1
  H  H26  1  0.367832  0.777574  0.544379  1
  H  H27  1  0.463985  0.585081  0.508493  1
  H  H28  1  0.230711  0.051710  0.529354  1
  H  H29  1  0.134608  0.244127  0.565249  1
  H  H30  1  0.901294  0.710844  0.586045  1
  H  H31  1  0.997480  0.518297  0.550177  1
  H  H32  1  0.764193  0.984928  0.571064  1
  H  H33  1  0.668130  0.177265  0.606943  1
  H  H34  1  0.434591  0.644476  0.627666  1
  H  H35  1  0.530978  0.451529  0.591865  1
  H  H36  1  0.297706  0.918026  0.612794  1
  H  H37  1  0.202033  0.109619  0.648487  1
  H  H38  1  0.967852  0.578233  0.668850  1
  H  H39  1  0.064652  0.384412  0.633482  1
  H  H40  1  0.830826  0.852011  0.654592  1
  H  H41  1  0.732956  0.047737  0.691048  1
  H  H42  1  0.504705  0.504933  0.710746  1
  H  H43  1  0.598442  0.317133  0.675126  1
  H  H44  1  0.365046  0.783735  0.696657  1
