# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42256058
_cell_length_b   5.36419547
_cell_length_c   47.43698982
_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   870.909167085
_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  0.500000  0.814074  0.310529  1
  H  H2  1  0.500000  0.707909  0.300582  1
  H  H3  1  1.000000  0.314074  0.310529  1
  H  H4  1  1.000000  0.207909  0.300582  1
  H  H5  1  0.500000  0.406981  0.366085  1
  H  H6  1  0.500000  0.300816  0.356137  1
  H  H7  1  1.000000  0.906981  0.366085  1
  H  H8  1  1.000000  0.800816  0.356137  1
  H  H9  1  0.500000  0.999889  0.421641  1
  H  H10  1  0.500000  0.893724  0.411693  1
  H  H11  1  1.000000  0.499889  0.421641  1
  H  H12  1  1.000000  0.393724  0.411693  1
  H  H13  1  0.500000  0.592796  0.477196  1
  H  H14  1  0.500000  0.486631  0.467248  1
  H  H15  1  1.000000  0.092796  0.477196  1
  H  H16  1  1.000000  0.986631  0.467248  1
  H  H17  1  0.500000  0.185704  0.532752  1
  H  H18  1  0.500000  0.079539  0.522804  1
  H  H19  1  1.000000  0.685704  0.532752  1
  H  H20  1  1.000000  0.579539  0.522804  1
  H  H21  1  0.500000  0.778611  0.588307  1
  H  H22  1  0.500000  0.672446  0.578359  1
  H  H23  1  1.000000  0.278611  0.588307  1
  H  H24  1  1.000000  0.172446  0.578359  1
  H  H25  1  0.500000  0.371519  0.643863  1
  H  H26  1  0.500000  0.265354  0.633915  1
  H  H27  1  1.000000  0.871519  0.643863  1
  H  H28  1  1.000000  0.765354  0.633915  1
  H  H29  1  0.500000  0.964426  0.699418  1
  H  H30  1  0.500000  0.858261  0.689471  1
  H  H31  1  1.000000  0.464426  0.699418  1
  H  H32  1  1.000000  0.358261  0.689471  1
