# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30285003
_cell_length_b   5.66616942
_cell_length_c   46.83282331
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   123.79221019
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H36
_cell_volume   1389.98239192
_cell_formula_units_Z   18
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  0.127158  0.254317  0.294716  1
  H  H2  1  0.547482  0.094965  0.280284  1
  H  H3  1  0.765186  0.530372  0.319716  1
  H  H4  1  0.185510  0.371020  0.305284  1
  H  H5  1  0.403214  0.806428  0.344716  1
  H  H6  1  0.823538  0.647076  0.330284  1
  H  H7  1  0.041242  0.082484  0.369716  1
  H  H8  1  0.461566  0.923132  0.355284  1
  H  H9  1  0.679270  0.358539  0.394716  1
  H  H10  1  0.099594  0.199188  0.380284  1
  H  H11  1  0.317298  0.634595  0.419716  1
  H  H12  1  0.737622  0.475243  0.405284  1
  H  H13  1  0.955325  0.910651  0.444716  1
  H  H14  1  0.375649  0.751299  0.430284  1
  H  H15  1  0.593353  0.186707  0.469716  1
  H  H16  1  0.013677  0.027355  0.455284  1
  H  H17  1  0.231381  0.462762  0.494716  1
  H  H18  1  0.651705  0.303410  0.480284  1
  H  H19  1  0.869409  0.738818  0.519716  1
  H  H20  1  0.289733  0.579466  0.505284  1
  H  H21  1  0.507437  0.014874  0.544716  1
  H  H22  1  0.927761  0.855522  0.530284  1
  H  H23  1  0.145465  0.290929  0.569716  1
  H  H24  1  0.565789  0.131578  0.555284  1
  H  H25  1  0.783493  0.566985  0.594716  1
  H  H26  1  0.203817  0.407633  0.580284  1
  H  H27  1  0.421520  0.843041  0.619716  1
  H  H28  1  0.841844  0.683689  0.605284  1
  H  H29  1  0.059548  0.119097  0.644716  1
  H  H30  1  0.479872  0.959745  0.630284  1
  H  H31  1  0.697576  0.395152  0.669716  1
  H  H32  1  0.117900  0.235800  0.655284  1
  H  H33  1  0.335604  0.671208  0.694716  1
  H  H34  1  0.755928  0.511856  0.680284  1
  H  H35  1  0.973632  0.947264  0.719716  1
  H  H36  1  0.393956  0.787912  0.705284  1
