# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90039811
_cell_length_b   20.22850931
_cell_length_c   47.75853291
_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   H42
_cell_volume   3768.11192292
_cell_formula_units_Z   21
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  0.500000  0.684302  0.277778  1
  H  H2  1  0.500000  0.980457  0.322222  1
  H  H3  1  0.000000  0.332379  0.300000  1
  H  H4  1  0.000000  0.517635  0.277778  1
  H  H5  1  0.000000  0.813790  0.322222  1
  H  H6  1  0.500000  0.165713  0.300000  1
  H  H7  1  0.000000  0.628534  0.344444  1
  H  H8  1  0.000000  0.924689  0.388889  1
  H  H9  1  0.500000  0.276612  0.366667  1
  H  H10  1  0.500000  0.461868  0.344444  1
  H  H11  1  0.500000  0.758023  0.388889  1
  H  H12  1  0.000000  0.109945  0.366667  1
  H  H13  1  0.500000  0.572767  0.411111  1
  H  H14  1  0.500000  0.868922  0.455556  1
  H  H15  1  0.000000  0.220844  0.433333  1
  H  H16  1  0.000000  0.406100  0.411111  1
  H  H17  1  0.000000  0.702255  0.455556  1
  H  H18  1  0.500000  0.054178  0.433333  1
  H  H19  1  0.000000  0.516999  0.477778  1
  H  H20  1  0.000000  0.813154  0.522222  1
  H  H21  1  0.500000  0.165077  0.500000  1
  H  H22  1  0.500000  0.350333  0.477778  1
  H  H23  1  0.500000  0.646488  0.522222  1
  H  H24  1  0.000000  0.998410  0.500000  1
  H  H25  1  0.500000  0.461232  0.544444  1
  H  H26  1  0.500000  0.757387  0.588889  1
  H  H27  1  0.000000  0.109309  0.566667  1
  H  H28  1  0.000000  0.294565  0.544444  1
  H  H29  1  0.000000  0.590720  0.588889  1
  H  H30  1  0.500000  0.942643  0.566667  1
  H  H31  1  0.000000  0.405464  0.611111  1
  H  H32  1  0.000000  0.701619  0.655556  1
  H  H33  1  0.500000  0.053542  0.633333  1
  H  H34  1  0.500000  0.238798  0.611111  1
  H  H35  1  0.500000  0.534953  0.655556  1
  H  H36  1  0.000000  0.886875  0.633333  1
  H  H37  1  0.500000  0.349697  0.677778  1
  H  H38  1  0.500000  0.645852  0.722222  1
  H  H39  1  0.000000  0.997774  0.700000  1
  H  H40  1  0.000000  0.183030  0.677778  1
  H  H41  1  1.000000  0.479185  0.722222  1
  H  H42  1  0.500000  0.831108  0.700000  1
