# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04141729
_cell_length_b   2.88335965
_cell_length_c   45.95319231
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   61.81453161
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H21
_cell_volume   355.201693826
_cell_formula_units_Z   10
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  0.857466  0.067533  0.288511  1
  H  H2  1  0.715179  0.138427  0.307654  1
  H  H3  1  0.546827  0.222307  0.330304  1
  H  H4  1  0.392450  0.299224  0.351073  1
  H  H5  1  0.232318  0.379010  0.372617  1
  H  H6  1  0.074957  0.457414  0.393788  1
  H  H7  1  0.916338  0.536445  0.415129  1
  H  H8  1  0.758307  0.615183  0.436390  1
  H  H9  1  0.600007  0.694055  0.457687  1
  H  H10  1  0.441827  0.772868  0.478968  1
  H  H11  1  0.283601  0.851703  0.500255  1
  H  H12  1  0.125375  0.930538  0.521543  1
  H  H13  1  0.967195  0.009350  0.542824  1
  H  H14  1  0.808895  0.088223  0.564121  1
  H  H15  1  0.650864  0.166961  0.585382  1
  H  H16  1  0.492244  0.245992  0.606723  1
  H  H17  1  0.334884  0.324396  0.627894  1
  H  H18  1  0.174752  0.404181  0.649438  1
  H  H19  1  0.020375  0.481098  0.670207  1
  H  H20  1  0.852023  0.564979  0.692857  1
  H  H21  1  0.709736  0.635873  0.712000  1
