# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27394601
_cell_length_b   8.00693718
_cell_length_c   47.80355266
_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   861.401626869
_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  0.399791  0.712448  0.272850  1
  H  H2  1  0.166396  0.179049  0.294381  1
  H  H3  1  0.260131  0.991257  0.258761  1
  H  H4  1  0.031882  0.448443  0.278459  1
  H  H5  1  0.934010  0.644172  0.314914  1
  H  H6  1  0.700185  0.111772  0.336024  1
  H  H7  1  0.796986  0.917951  0.300656  1
  H  H8  1  0.562803  0.386567  0.321019  1
  H  H9  1  0.467129  0.578160  0.356712  1
  H  H10  1  0.233856  0.044657  0.377641  1
  H  H11  1  0.330244  0.851710  0.341840  1
  H  H12  1  0.096704  0.318922  0.362563  1
  H  H13  1  1.000640  0.511260  0.398442  1
  H  H14  1  0.767352  0.977891  0.419327  1
  H  H15  1  0.863539  0.785345  0.383460  1
  H  H16  1  0.630225  0.252062  0.404255  1
  H  H17  1  0.534120  0.444479  0.440150  1
  H  H18  1  0.300845  0.911110  0.461011  1
  H  H19  1  0.397000  0.718616  0.425125  1
  H  H20  1  0.163710  0.185286  0.445954  1
  H  H21  1  0.067600  0.377709  0.481848  1
  H  H22  1  0.834325  0.844347  0.502693  1
  H  H23  1  0.930472  0.651867  0.466804  1
  H  H24  1  0.697197  0.118505  0.487649  1
  H  H25  1  0.601087  0.310928  0.523543  1
  H  H26  1  0.367797  0.777598  0.544372  1
  H  H27  1  0.463952  0.585104  0.508486  1
  H  H28  1  0.230677  0.051735  0.529347  1
  H  H29  1  0.134573  0.244152  0.565242  1
  H  H30  1  0.901258  0.710869  0.586037  1
  H  H31  1  0.997445  0.518323  0.550170  1
  H  H32  1  0.764158  0.984954  0.571055  1
  H  H33  1  0.668093  0.177292  0.606934  1
  H  H34  1  0.434553  0.644504  0.627657  1
  H  H35  1  0.530941  0.451557  0.591856  1
  H  H36  1  0.297668  0.918054  0.612785  1
  H  H37  1  0.201994  0.109648  0.648478  1
  H  H38  1  0.967811  0.578263  0.668841  1
  H  H39  1  0.064612  0.384442  0.633473  1
  H  H40  1  0.830787  0.852042  0.654583  1
  H  H41  1  0.732915  0.047771  0.691038  1
  H  H42  1  0.504667  0.504957  0.710736  1
  H  H43  1  0.598401  0.317165  0.675116  1
  H  H44  1  0.365006  0.783766  0.696647  1
