# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96969880
_cell_length_b   4.47245549
_cell_length_c   46.66160931
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   63.61111027
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H38
_cell_volume   742.118685047
_cell_formula_units_Z   19
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  0.267661  0.328435  0.274522  1
  H  H2  1  0.664186  0.759745  0.285703  1
  H  H3  1  0.829626  0.198773  0.298926  1
  H  H4  1  0.232771  0.667112  0.312249  1
  H  H5  1  0.363554  0.122689  0.324041  1
  H  H6  1  0.782130  0.578563  0.335413  1
  H  H7  1  0.901502  0.039000  0.348078  1
  H  H8  1  0.328054  0.497615  0.359908  1
  H  H9  1  0.443122  0.954994  0.371865  1
  H  H10  1  0.872774  0.416190  0.383529  1
  H  H11  1  0.982065  0.875400  0.395739  1
  H  H12  1  0.415241  0.334553  0.407443  1
  H  H13  1  0.522929  0.793266  0.419424  1
  H  H14  1  0.957196  0.253262  0.431190  1
  H  H15  1  0.063619  0.712077  0.443208  1
  H  H16  1  0.498642  0.171415  0.454970  1
  H  H17  1  0.604579  0.630371  0.466929  1
  H  H18  1  0.039807  0.089893  0.478732  1
  H  H19  1  0.145594  0.548802  0.490688  1
  H  H20  1  0.580892  0.008190  0.502481  1
  H  H21  1  0.686679  0.467100  0.514437  1
  H  H22  1  0.121907  0.926621  0.526240  1
  H  H23  1  0.227843  0.385577  0.538200  1
  H  H24  1  0.662867  0.844915  0.549962  1
  H  H25  1  0.769290  0.303731  0.561979  1
  H  H26  1  0.203557  0.763727  0.573746  1
  H  H27  1  0.311245  0.222440  0.585726  1
  H  H28  1  0.744421  0.681592  0.597430  1
  H  H29  1  0.853712  0.140803  0.609641  1
  H  H30  1  0.283364  0.601998  0.621305  1
  H  H31  1  0.398432  0.059378  0.633262  1
  H  H32  1  0.824984  0.517993  0.645091  1
  H  H33  1  0.944356  0.978430  0.657756  1
  H  H34  1  0.362932  0.434303  0.669129  1
  H  H35  1  0.493715  0.889881  0.680920  1
  H  H36  1  0.896860  0.358219  0.694243  1
  H  H37  1  0.062299  0.797247  0.707466  1
  H  H38  1  0.458825  0.228558  0.718647  1
