# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.30099194
_cell_length_b   6.29355050
_cell_length_c   48.56555027
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H36
_cell_volume   703.297596723
_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  0.571789  0.813339  0.312783  1
  H  H2  1  0.571789  0.360542  0.277929  1
  H  H3  1  1.071789  0.039693  0.281782  1
  H  H4  1  1.071789  0.682788  0.274350  1
  H  H5  1  0.571789  0.627632  0.353555  1
  H  H6  1  0.571789  0.176239  0.319873  1
  H  H7  1  1.071789  0.946423  0.349935  1
  H  H8  1  1.071789  0.495201  0.316018  1
  H  H9  1  0.571789  0.442994  0.394891  1
  H  H10  1  0.571789  0.079139  0.387168  1
  H  H11  1  1.071789  0.760722  0.391040  1
  H  H12  1  1.071789  0.310253  0.357303  1
  H  H13  1  0.571789  0.343874  0.461952  1
  H  H14  1  0.571789  0.893537  0.428472  1
  H  H15  1  1.071789  0.575783  0.432398  1
  H  H16  1  1.071789  0.211405  0.424542  1
  H  H17  1  0.571789  0.158758  0.503329  1
  H  H18  1  0.571789  0.708457  0.469852  1
  H  H19  1  1.071789  0.476453  0.499379  1
  H  H20  1  1.071789  0.026153  0.465902  1
  H  H21  1  0.571789  -0.026495  0.544689  1
  H  H22  1  0.571789  0.609128  0.536833  1
  H  H23  1  1.071789  0.291374  0.540759  1
  H  H24  1  1.071789  0.841037  0.507279  1
  H  H25  1  0.571789  0.874658  0.611928  1
  H  H26  1  0.571789  0.424188  0.578192  1
  H  H27  1  1.071789  0.105771  0.582063  1
  H  H28  1  1.071789  0.741917  0.574340  1
  H  H29  1  0.571789  0.689710  0.653213  1
  H  H30  1  0.571789  0.238488  0.619296  1
  H  H31  1  1.071789  0.008671  0.649358  1
  H  H32  1  1.071789  0.557278  0.615677  1
  H  H33  1  0.571789  0.502123  0.694881  1
  H  H34  1  0.571789  0.145217  0.687450  1
  H  H35  1  1.071789  0.824369  0.691303  1
  H  H36  1  1.071789  0.371571  0.656448  1
