# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.40288615
_cell_length_b   6.10613638
_cell_length_c   44.73078137
_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   H32
_cell_volume   656.305705813
_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  0.952011  0.694712  0.347309  1
  H  H2  1  0.952011  0.278499  0.302916  1
  H  H3  1  0.452011  0.979542  0.323198  1
  H  H4  1  0.452011  0.618907  0.303672  1
  H  H5  1  0.952011  0.450327  0.388207  1
  H  H6  1  0.952011  1.070860  0.366255  1
  H  H7  1  0.452011  0.785943  0.389219  1
  H  H8  1  0.452011  0.362355  0.345795  1
  H  H9  1  -0.047989  0.252093  0.451710  1
  H  H10  1  0.952011  0.875374  0.431461  1
  H  H11  1  0.452011  0.540973  0.430478  1
  H  H12  1  0.452011  0.160995  0.409034  1
  H  H13  1  -0.047989  1.054879  0.516124  1
  H  H14  1  -0.047989  0.630727  0.472859  1
  H  H15  1  0.452011  0.342487  0.494362  1
  H  H16  1  0.452011  0.965177  0.473766  1
  H  H17  1  -0.047989  0.810260  0.557585  1
  H  H18  1  -0.047989  0.432949  0.536989  1
  H  H19  1  0.452011  0.144710  0.558492  1
  H  H20  1  0.452011  0.720558  0.515227  1
  H  H21  1  -0.047989  0.614442  0.622317  1
  H  H22  1  -0.047989  0.234464  0.600873  1
  H  H23  1  0.452011  0.900062  0.599890  1
  H  H24  1  0.452011  0.523344  0.579641  1
  H  H25  1  -0.047989  0.413081  0.685556  1
  H  H26  1  -0.047989  0.989493  0.642132  1
  H  H27  1  0.452011  0.704577  0.665096  1
  H  H28  1  0.452011  0.325109  0.643144  1
  H  H29  1  0.952011  0.156529  0.727679  1
  H  H30  1  -0.047989  0.795894  0.708153  1
  H  H31  1  0.452011  0.496937  0.728435  1
  H  H32  1  0.452011  1.080724  0.684042  1
