# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83092404
_cell_length_b   3.97293312
_cell_length_c   47.11727922
_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   H36
_cell_volume   717.125225113
_cell_formula_units_Z   18
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  0.752732  0.933261  0.264357  1
  H  H2  1  0.252732  0.761722  0.287473  1
  H  H3  1  0.752732  0.413708  0.289720  1
  H  H4  1  0.252732  0.252344  0.312551  1
  H  H5  1  0.752732  0.901902  0.315277  1
  H  H6  1  0.252732  0.740451  0.337898  1
  H  H7  1  0.752732  0.392380  0.339849  1
  H  H8  1  0.252732  0.229526  0.362640  1
  H  H9  1  0.752732  0.881730  0.364908  1
  H  H10  1  0.252732  0.718698  0.387772  1
  H  H11  1  0.752732  0.370975  0.389814  1
  H  H12  1  0.252732  0.208134  0.412750  1
  H  H13  1  0.752732  0.860230  0.414864  1
  H  H14  1  0.252732  0.697404  0.437796  1
  H  H15  1  0.752732  0.349558  0.439851  1
  H  H16  1  0.252732  0.186713  0.462797  1
  H  H17  1  0.752732  0.838858  0.464877  1
  H  H18  1  0.252732  0.675997  0.487820  1
  H  H19  1  0.752732  0.328170  0.489881  1
  H  H20  1  0.252732  0.165309  0.512824  1
  H  H21  1  0.752732  0.817453  0.514904  1
  H  H22  1  0.252732  0.654609  0.537850  1
  H  H23  1  0.752732  0.306762  0.539905  1
  H  H24  1  0.252732  0.143936  0.562838  1
  H  H25  1  0.752732  0.796033  0.564951  1
  H  H26  1  0.252732  0.633191  0.587887  1
  H  H27  1  0.752732  0.285469  0.589929  1
  H  H28  1  0.252732  0.122437  0.612794  1
  H  H29  1  0.752732  0.774641  0.615062  1
  H  H30  1  0.252732  0.611786  0.637853  1
  H  H31  1  0.752732  0.263716  0.639804  1
  H  H32  1  0.252732  0.102265  0.662424  1
  H  H33  1  0.752732  0.751822  0.665150  1
  H  H34  1  0.252732  0.590459  0.687982  1
  H  H35  1  0.752732  0.242445  0.690228  1
  H  H36  1  0.252732  0.070906  0.713344  1
