# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90039811
_cell_length_b   16.37287299
_cell_length_c   47.54258665
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.84083312
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H32
_cell_volume   3014.48953822
_cell_formula_units_Z   16
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  0.051621  0.103242  0.331019  1
  H  H2  1  0.334002  0.668005  0.303241  1
  H  H3  1  0.453606  0.907211  0.307870  1
  H  H4  1  0.735987  0.471974  0.280093  1
  H  H5  1  0.486858  0.973716  0.386574  1
  H  H6  1  0.769240  0.538479  0.358796  1
  H  H7  1  0.888843  0.777685  0.363426  1
  H  H8  1  0.171224  0.342448  0.335648  1
  H  H9  1  0.922095  0.844190  0.442130  1
  H  H10  1  0.204477  0.408953  0.414352  1
  H  H11  1  0.324080  0.648160  0.418981  1
  H  H12  1  0.606461  0.212922  0.391204  1
  H  H13  1  0.357332  0.714665  0.497685  1
  H  H14  1  0.639714  0.279428  0.469907  1
  H  H15  1  0.759317  0.518634  0.474537  1
  H  H16  1  0.041698  0.083397  0.446759  1
  H  H17  1  0.792569  0.585139  0.553241  1
  H  H18  1  0.074951  0.149902  0.525463  1
  H  H19  1  0.194554  0.389108  0.530093  1
  H  H20  1  0.476935  0.953871  0.502315  1
  H  H21  1  0.227806  0.455613  0.608796  1
  H  H22  1  0.510188  0.020376  0.581019  1
  H  H23  1  0.629791  0.259582  0.585648  1
  H  H24  1  0.912172  0.824345  0.557870  1
  H  H25  1  0.663044  0.326087  0.664352  1
  H  H26  1  0.945425  0.890850  0.636574  1
  H  H27  1  0.065028  0.130056  0.641204  1
  H  H28  1  0.347410  0.694819  0.613426  1
  H  H29  1  0.098281  0.196561  0.719907  1
  H  H30  1  0.380662  0.761324  0.692130  1
  H  H31  1  0.500265  0.000530  0.696759  1
  H  H32  1  0.782647  0.565293  0.668981  1
