# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27650621
_cell_length_b   5.60554919
_cell_length_c   50.66815922
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H32
_cell_volume   646.579802994
_cell_formula_units_Z   16
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  1.005892  0.242963  0.320200  1
  H  H2  1  0.505892  0.513813  0.291491  1
  H  H3  1  0.505892  0.902966  0.303396  1
  H  H4  1  1.005892  0.166178  0.275387  1
  H  H5  1  1.005892  0.706854  0.375678  1
  H  H6  1  0.505892  0.974164  0.347867  1
  H  H7  1  0.505892  0.369974  0.358744  1
  H  H8  1  1.005892  0.636089  0.331088  1
  H  H9  1  1.005892  0.172542  0.431250  1
  H  H10  1  0.505892  0.439636  0.403473  1
  H  H11  1  0.505892  0.836141  0.414258  1
  H  H12  1  1.005892  0.103088  0.386468  1
  H  H13  1  1.005892  0.638450  0.486819  1
  H  H14  1  0.505892  0.905502  0.459036  1
  H  H15  1  0.505892  0.302053  0.469822  1
  H  H16  1  1.005892  0.569104  0.442042  1
  H  H17  1  1.005892  0.104355  0.542382  1
  H  H18  1  0.505892  0.371407  0.514602  1
  H  H19  1  0.505892  0.767958  0.525388  1
  H  H20  1  1.005892  0.035010  0.497605  1
  H  H21  1  1.005892  0.570372  0.597956  1
  H  H22  1  0.505892  0.837318  0.570166  1
  H  H23  1  0.505892  0.233824  0.580951  1
  H  H24  1  1.005892  0.500918  0.553174  1
  H  H25  1  1.005892  0.037371  0.653336  1
  H  H26  1  0.505892  0.303486  0.625680  1
  H  H27  1  0.505892  0.699296  0.636557  1
  H  H28  1  1.005892  0.966606  0.608746  1
  H  H29  1  1.005892  0.507282  0.709037  1
  H  H30  1  0.505892  0.770494  0.681028  1
  H  H31  1  0.505892  0.159647  0.692933  1
  H  H32  1  1.005892  0.430496  0.664225  1
