# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64152136
_cell_length_b   5.05047153
_cell_length_c   45.41830663
_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   835.306242504
_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  0.000000  0.829994  0.327463  1
  H  H2  1  0.000000  0.451342  0.283648  1
  H  H3  1  0.500000  0.329994  0.327463  1
  H  H4  1  0.500000  0.951342  0.283648  1
  H  H5  1  0.000000  0.310115  0.383018  1
  H  H6  1  0.000000  0.931464  0.339204  1
  H  H7  1  0.500000  0.810115  0.383018  1
  H  H8  1  0.500000  0.431464  0.339204  1
  H  H9  1  0.000000  0.790237  0.438574  1
  H  H10  1  0.000000  0.411585  0.394760  1
  H  H11  1  0.500000  0.290237  0.438574  1
  H  H12  1  0.500000  0.911585  0.394760  1
  H  H13  1  0.000000  0.270358  0.494129  1
  H  H14  1  0.000000  0.891707  0.450315  1
  H  H15  1  0.500000  0.770358  0.494129  1
  H  H16  1  0.500000  0.391707  0.450315  1
  H  H17  1  0.000000  0.750480  0.549685  1
  H  H18  1  0.000000  0.371828  0.505871  1
  H  H19  1  0.500000  0.250480  0.549685  1
  H  H20  1  0.500000  0.871828  0.505871  1
  H  H21  1  0.000000  0.230601  0.605240  1
  H  H22  1  0.000000  0.851950  0.561426  1
  H  H23  1  0.500000  0.730601  0.605240  1
  H  H24  1  0.500000  0.351950  0.561426  1
  H  H25  1  0.000000  0.710723  0.660796  1
  H  H26  1  0.000000  0.332071  0.616982  1
  H  H27  1  0.500000  0.210723  0.660796  1
  H  H28  1  0.500000  0.832071  0.616982  1
  H  H29  1  0.000000  0.190844  0.716352  1
  H  H30  1  0.000000  0.812193  0.672537  1
  H  H31  1  0.500000  0.690844  0.716352  1
  H  H32  1  0.500000  0.312193  0.672537  1
