# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.22584404
_cell_length_b   7.78466354
_cell_length_c   54.39853561
_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   H44
_cell_volume   942.587742031
_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  0.747833  0.836950  0.249215  1
  H  H2  1  0.247833  0.111715  0.240016  1
  H  H3  1  0.747833  0.383216  0.230584  1
  H  H4  1  0.247833  0.566140  0.259405  1
  H  H5  1  0.747833  0.746792  0.288999  1
  H  H6  1  0.247833  1.018653  0.279342  1
  H  H7  1  0.747833  0.291174  0.269985  1
  H  H8  1  0.247833  0.473873  0.298817  1
  H  H9  1  0.747833  0.653854  0.328275  1
  H  H10  1  0.247833  0.926491  0.318508  1
  H  H11  1  0.747833  0.199510  0.308849  1
  H  H12  1  0.247833  0.380931  0.338133  1
  H  H13  1  0.747833  0.561510  0.367598  1
  H  H14  1  0.247833  0.834391  0.357794  1
  H  H15  1  0.747833  0.107420  0.348027  1
  H  H16  1  0.247833  0.288471  0.377439  1
  H  H17  1  0.747833  0.469193  0.406900  1
  H  H18  1  0.247833  0.742183  0.397084  1
  H  H19  1  0.747833  1.015238  0.387280  1
  H  H20  1  0.247833  0.196124  0.416728  1
  H  H21  1  0.747833  0.376899  0.446193  1
  H  H22  1  0.247833  0.649921  0.436374  1
  H  H23  1  0.747833  0.922986  0.426555  1
  H  H24  1  0.247833  0.103834  0.456012  1
  H  H25  1  0.747833  0.284637  0.485484  1
  H  H26  1  0.247833  0.557627  0.475667  1
  H  H27  1  0.747833  0.830696  0.465839  1
  H  H28  1  0.247833  1.011582  0.495288  1
  H  H29  1  0.747833  0.192429  0.524773  1
  H  H30  1  0.247833  0.465310  0.514969  1
  H  H31  1  0.747833  0.738349  0.505128  1
  H  H32  1  0.247833  0.919400  0.534540  1
  H  H33  1  0.747833  0.100329  0.564059  1
  H  H34  1  0.247833  0.372966  0.554292  1
  H  H35  1  0.747833  0.645889  0.544435  1
  H  H36  1  0.247833  0.827310  0.573718  1
  H  H37  1  0.747833  1.008167  0.603225  1
  H  H38  1  0.247833  0.280028  0.593568  1
  H  H39  1  0.747833  0.552946  0.583750  1
  H  H40  1  0.247833  0.735646  0.612583  1
  H  H41  1  0.747833  0.915105  0.642551  1
  H  H42  1  0.247833  0.189870  0.633352  1
  H  H43  1  0.747833  0.460680  0.623162  1
  H  H44  1  0.247833  0.643604  0.651983  1
