# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75223122
_cell_length_b   6.08177661
_cell_length_c   47.87357074
_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   H56
_cell_volume   1965.9550802
_cell_formula_units_Z   28
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  0.333191  0.252501  0.291876  1
  H  H2  1  0.833191  0.047154  0.323126  1
  H  H3  1  0.166524  0.752501  0.291876  1
  H  H4  1  0.666525  0.547154  0.323126  1
  H  H5  1  0.166524  0.845853  0.301777  1
  H  H6  1  0.666524  0.640507  0.333027  1
  H  H7  1  0.333191  0.345853  0.301777  1
  H  H8  1  0.833191  0.140507  0.333027  1
  H  H9  1  0.333191  0.841807  0.354376  1
  H  H10  1  0.833191  0.636461  0.385626  1
  H  H11  1  0.166524  0.341807  0.354376  1
  H  H12  1  0.666524  0.136461  0.385626  1
  H  H13  1  0.166524  0.435160  0.364277  1
  H  H14  1  0.666524  0.229813  0.395527  1
  H  H15  1  0.333191  0.935160  0.364277  1
  H  H16  1  0.833191  0.729813  0.395527  1
  H  H17  1  0.333191  0.431114  0.416876  1
  H  H18  1  0.833191  0.225767  0.448126  1
  H  H19  1  0.166524  0.931114  0.416876  1
  H  H20  1  0.666524  0.725767  0.448126  1
  H  H21  1  0.166524  0.024467  0.426777  1
  H  H22  1  0.666524  0.819120  0.458027  1
  H  H23  1  0.333191  0.524467  0.426777  1
  H  H24  1  0.833191  0.319120  0.458027  1
  H  H25  1  0.333191  0.020421  0.479376  1
  H  H26  1  0.833191  0.815074  0.510626  1
  H  H27  1  0.166524  0.520421  0.479376  1
  H  H28  1  0.666524  0.315074  0.510626  1
  H  H29  1  0.166524  0.613773  0.489277  1
  H  H30  1  0.666524  0.408427  0.520527  1
  H  H31  1  0.333191  0.113773  0.489277  1
  H  H32  1  0.833191  0.908427  0.520527  1
  H  H33  1  0.333191  0.609727  0.541876  1
  H  H34  1  0.833191  0.404381  0.573126  1
  H  H35  1  0.166524  0.109727  0.541876  1
  H  H36  1  0.666524  0.904381  0.573126  1
  H  H37  1  0.166524  0.203080  0.551777  1
  H  H38  1  0.666524  0.997734  0.583027  1
  H  H39  1  0.333191  0.703080  0.551777  1
  H  H40  1  0.833191  0.497734  0.583027  1
  H  H41  1  0.333191  0.199034  0.604376  1
  H  H42  1  0.833191  0.993688  0.635626  1
  H  H43  1  0.166524  0.699034  0.604376  1
  H  H44  1  0.666524  0.493688  0.635626  1
  H  H45  1  0.166524  0.792387  0.614277  1
  H  H46  1  0.666524  0.587040  0.645527  1
  H  H47  1  0.333191  0.292387  0.614277  1
  H  H48  1  0.833191  0.087040  0.645527  1
  H  H49  1  0.333191  0.788341  0.666876  1
  H  H50  1  0.833191  0.582995  0.698126  1
  H  H51  1  0.166524  0.288341  0.666876  1
  H  H52  1  0.666524  0.082995  0.698126  1
  H  H53  1  0.166525  0.381694  0.676777  1
  H  H54  1  0.666524  0.176347  0.708027  1
  H  H55  1  0.333191  0.881694  0.676777  1
  H  H56  1  0.833191  0.676347  0.708027  1
