# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.23297762
_cell_length_b   2.28966607
_cell_length_c   63.59262036
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.76484944
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H15
_cell_volume   301.95692212
_cell_formula_units_Z   7
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  0.157653  0.934981  0.155642  1
  H  H2  1  0.719526  0.379562  0.185820  1
  H  H3  1  0.281521  0.823899  0.215703  1
  H  H4  1  0.842333  0.269301  0.245681  1
  H  H5  1  0.404110  0.713848  0.275667  1
  H  H6  1  0.965569  1.158676  0.305654  1
  H  H7  1  0.527145  0.603401  0.335640  1
  H  H8  1  0.088680  1.048162  0.365626  1
  H  H9  1  0.650215  0.492922  0.395612  1
  H  H10  1  0.211791  0.937647  0.425598  1
  H  H11  1  0.773250  0.382476  0.455584  1
  H  H12  1  0.335027  0.827022  0.485571  1
  H  H13  1  0.895839  0.272425  0.515549  1
  H  H14  1  0.457834  0.716762  0.545431  1
  H  H15  1  1.019707  1.161342  0.575610  1
