# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89750198
_cell_length_b   4.66855617
_cell_length_c   47.25442253
_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   H24
_cell_volume   859.827623342
_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  0.499973  0.829201  0.309500  1
  H  H2  1  -0.000027  0.329201  0.333310  1
  H  H3  1  -0.000027  0.170781  0.333310  1
  H  H4  1  0.499973  0.670781  0.309500  1
  H  H5  1  -0.000027  0.829201  0.380929  1
  H  H6  1  0.499973  0.329201  0.404738  1
  H  H7  1  0.499973  0.170781  0.404738  1
  H  H8  1  -0.000027  0.670781  0.380929  1
  H  H9  1  0.499973  0.829201  0.452357  1
  H  H10  1  -0.000027  0.329201  0.476167  1
  H  H11  1  -0.000027  0.170781  0.476167  1
  H  H12  1  0.499973  0.670781  0.452357  1
  H  H13  1  -0.000027  0.829201  0.523786  1
  H  H14  1  0.499973  0.329201  0.547595  1
  H  H15  1  0.499973  0.170781  0.547595  1
  H  H16  1  -0.000027  0.670781  0.523786  1
  H  H17  1  0.499973  0.829201  0.595214  1
  H  H18  1  -0.000027  0.329201  0.619024  1
  H  H19  1  -0.000027  0.170781  0.619024  1
  H  H20  1  0.499973  0.670781  0.595214  1
  H  H21  1  -0.000027  0.829201  0.666643  1
  H  H22  1  0.499973  0.329201  0.690452  1
  H  H23  1  0.499973  0.170781  0.690452  1
  H  H24  1  -0.000027  0.670781  0.666643  1
