# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90039811
_cell_length_b   12.11967598
_cell_length_c   48.45869114
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.74017485
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H24
_cell_volume   2260.86715371
_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  0.841879  0.316242  0.299383  1
  H  H2  1  0.461493  0.077015  0.336420  1
  H  H3  1  0.081107  0.837787  0.373457  1
  H  H4  1  0.311171  0.377658  0.367284  1
  H  H5  1  0.071943  0.856114  0.293210  1
  H  H6  1  0.691557  0.616886  0.330247  1
  H  H7  1  0.700720  0.598559  0.410494  1
  H  H8  1  0.320334  0.359331  0.447531  1
  H  H9  1  0.939948  0.120104  0.484568  1
  H  H10  1  0.170012  0.659975  0.478395  1
  H  H11  1  0.930785  0.138431  0.404321  1
  H  H12  1  0.550399  0.899203  0.441358  1
  H  H13  1  0.559562  0.880876  0.521605  1
  H  H14  1  0.179176  0.641648  0.558642  1
  H  H15  1  0.798790  0.402421  0.595679  1
  H  H16  1  0.028854  0.942292  0.589506  1
  H  H17  1  0.789626  0.420747  0.515432  1
  H  H18  1  0.409240  0.181520  0.552469  1
  H  H19  1  0.418404  0.163193  0.632716  1
  H  H20  1  0.038017  0.923965  0.669753  1
  H  H21  1  0.657631  0.684737  0.706790  1
  H  H22  1  0.887696  0.224609  0.700617  1
  H  H23  1  0.648468  0.703064  0.626543  1
  H  H24  1  0.268082  0.463836  0.663580  1
