# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76888324
_cell_length_b   4.01258401
_cell_length_c   37.42949970
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   49.15426291
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H44
_cell_volume   882.653623454
_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  0.049473  0.560452  0.443700  1
  H  H2  1  0.549473  0.560452  0.443700  1
  H  H3  1  0.196195  0.875654  0.422463  1
  H  H4  1  0.696195  0.875654  0.422463  1
  H  H5  1  0.745701  0.936918  0.484684  1
  H  H6  1  0.245701  0.936918  0.484684  1
  H  H7  1  -0.103070  0.248428  0.464182  1
  H  H8  1  0.396930  0.248428  0.464182  1
  H  H9  1  0.442536  0.317108  0.525041  1
  H  H10  1  -0.057464  0.317108  0.525041  1
  H  H11  1  0.594125  0.627323  0.504860  1
  H  H12  1  0.094125  0.627323  0.504860  1
  H  H13  1  0.139596  0.696863  0.565753  1
  H  H14  1  0.639596  0.696863  0.565753  1
  H  H15  1  0.291049  0.007118  0.545433  1
  H  H16  1  0.791049  0.007118  0.545433  1
  H  H17  1  0.836554  0.076154  0.606451  1
  H  H18  1  0.336554  0.076154  0.606451  1
  H  H19  1  -0.011937  0.386517  0.586089  1
  H  H20  1  0.488063  0.386517  0.586089  1
  H  H21  1  0.533515  0.455399  0.647144  1
  H  H22  1  0.033515  0.455399  0.647144  1
  H  H23  1  0.685041  0.765773  0.626794  1
  H  H24  1  0.185041  0.765773  0.626794  1
  H  H25  1  0.230493  0.834655  0.687849  1
  H  H26  1  0.730493  0.834655  0.687849  1
  H  H27  1  0.382002  0.145018  0.667488  1
  H  H28  1  0.882002  0.145018  0.667488  1
  H  H29  1  -0.072493  0.214054  0.728505  1
  H  H30  1  0.427507  0.214054  0.728505  1
  H  H31  1  0.078959  0.524309  0.708185  1
  H  H32  1  0.578959  0.524309  0.708185  1
  H  H33  1  0.624431  0.593849  0.769078  1
  H  H34  1  0.124431  0.593849  0.769078  1
  H  H35  1  0.776020  0.904064  0.748898  1
  H  H36  1  0.276020  0.904064  0.748898  1
  H  H37  1  0.321626  0.972744  0.809756  1
  H  H38  1  0.821626  0.972744  0.809756  1
  H  H39  1  0.472855  0.284254  0.789254  1
  H  H40  1  -0.027145  0.284254  0.789254  1
  H  H41  1  0.022361  0.345518  0.851475  1
  H  H42  1  0.522361  0.345518  0.851475  1
  H  H43  1  0.169083  0.660720  0.830238  1
  H  H44  1  0.669083  0.660720  0.830238  1
