# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55751281
_cell_length_b   2.88329514
_cell_length_c   45.90328817
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.18758214
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H25
_cell_volume   430.764388349
_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  0.450112  0.768788  0.290511  1
  H  H2  1  0.257133  0.864939  0.306293  1
  H  H3  1  0.028803  0.978703  0.324967  1
  H  H4  1  0.819429  0.083023  0.342090  1
  H  H5  1  0.602246  0.191233  0.359852  1
  H  H6  1  0.388825  0.297569  0.377306  1
  H  H7  1  0.173694  0.404756  0.394900  1
  H  H8  1  0.959364  0.511545  0.412429  1
  H  H9  1  0.744665  0.618518  0.429988  1
  H  H10  1  0.530136  0.725406  0.447532  1
  H  H11  1  0.315529  0.832333  0.465084  1
  H  H12  1  0.100958  0.939242  0.482632  1
  H  H13  1  0.886372  0.046158  0.500181  1
  H  H14  1  0.671787  0.153074  0.517731  1
  H  H15  1  0.457215  0.259983  0.535279  1
  H  H16  1  0.242608  0.366910  0.552830  1
  H  H17  1  0.028080  0.473798  0.570375  1
  H  H18  1  0.813381  0.580771  0.587934  1
  H  H19  1  0.599051  0.687559  0.605462  1
  H  H20  1  0.383920  0.794747  0.623057  1
  H  H21  1  0.170499  0.901083  0.640511  1
  H  H22  1  0.953316  0.009293  0.658273  1
  H  H23  1  0.743942  0.113613  0.675396  1
  H  H24  1  0.515612  0.227377  0.694069  1
  H  H25  1  0.322633  0.323527  0.709852  1
