# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84866231
_cell_length_b   3.56152622
_cell_length_c   45.33243682
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.04432390
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H25
_cell_volume   423.223232977
_cell_formula_units_Z   12
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  0.338063  0.604983  0.286757  1
  H  H2  1  0.244901  0.414672  0.302822  1
  H  H3  1  0.134674  0.189498  0.321829  1
  H  H4  1  0.033597  0.983018  0.339258  1
  H  H5  1  0.928751  0.768838  0.357337  1
  H  H6  1  0.825721  0.558367  0.375103  1
  H  H7  1  0.721865  0.346211  0.393011  1
  H  H8  1  0.618397  0.134844  0.410852  1
  H  H9  1  0.514749  0.923112  0.428725  1
  H  H10  1  0.411185  0.711550  0.446583  1
  H  H11  1  0.307582  0.499909  0.464448  1
  H  H12  1  0.203996  0.288304  0.482309  1
  H  H13  1  0.100404  0.076685  0.500172  1
  H  H14  1  0.996812  0.865066  0.518035  1
  H  H15  1  0.893226  0.653461  0.535897  1
  H  H16  1  0.789623  0.441821  0.553761  1
  H  H17  1  0.686059  0.230258  0.571619  1
  H  H18  1  0.582411  0.018527  0.589492  1
  H  H19  1  0.478943  0.807159  0.607333  1
  H  H20  1  0.375087  0.595003  0.625241  1
  H  H21  1  0.272057  0.384532  0.643007  1
  H  H22  1  0.167211  0.170352  0.661086  1
  H  H23  1  0.066134  0.963872  0.678516  1
  H  H24  1  0.955907  0.738698  0.697522  1
  H  H25  1  0.862745  0.548387  0.713587  1
