# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85378038
_cell_length_b   3.55742628
_cell_length_c   45.29800053
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.97136277
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H25
_cell_volume   423.223105388
_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  0.340465  0.402302  0.286757  1
  H  H2  1  0.247445  0.593007  0.302821  1
  H  H3  1  0.137385  0.818647  0.321828  1
  H  H4  1  0.036462  0.025555  0.339258  1
  H  H5  1  0.931776  0.240179  0.357337  1
  H  H6  1  0.828902  0.451086  0.375103  1
  H  H7  1  0.725204  0.663682  0.393011  1
  H  H8  1  0.621893  0.875487  0.410852  1
  H  H9  1  0.518403  0.087657  0.428725  1
  H  H10  1  0.414995  0.299658  0.446583  1
  H  H11  1  0.311550  0.511736  0.464447  1
  H  H12  1  0.208122  0.723780  0.482309  1
  H  H13  1  0.104687  0.935837  0.500172  1
  H  H14  1  0.001252  0.147894  0.518035  1
  H  H15  1  0.897824  0.359938  0.535896  1
  H  H16  1  0.794379  0.572017  0.553761  1
  H  H17  1  0.690972  0.784018  0.571619  1
  H  H18  1  0.587482  0.996188  0.589491  1
  H  H19  1  0.484170  0.207993  0.607333  1
  H  H20  1  0.380472  0.420589  0.625241  1
  H  H21  1  0.277599  0.631496  0.643007  1
  H  H22  1  0.172912  0.846120  0.661086  1
  H  H23  1  0.071989  0.053028  0.678515  1
  H  H24  1  0.961929  0.278668  0.697522  1
  H  H25  1  0.868909  0.469373  0.713587  1
