# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27170306
_cell_length_b   8.99005652
_cell_length_c   38.67786618
_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   H40
_cell_volume   789.907961895
_cell_formula_units_Z   20
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  1.018063  0.630199  0.392863  1
  H  H2  1  0.518063  0.078206  0.436388  1
  H  H3  1  1.018063  0.871069  0.411830  1
  H  H4  1  0.518063  0.696649  0.445827  1
  H  H5  1  0.518063  0.455968  0.427909  1
  H  H6  1  1.018063  0.258680  0.401255  1
  H  H7  1  0.518063  0.046389  0.377901  1
  H  H8  1  1.018063  0.520453  0.479523  1
  H  H9  1  1.018063  0.278761  0.461347  1
  H  H10  1  0.518063  0.750929  0.562356  1
  H  H11  1  1.018063  0.547802  0.538042  1
  H  H12  1  0.518063  0.343962  0.513337  1
  H  H13  1  0.518063  0.103171  0.495166  1
  H  H14  1  1.018063  0.901130  0.470199  1
  H  H15  1  0.518063  0.724461  0.504047  1
  H  H16  1  1.018063  0.167104  0.547521  1
  H  H17  1  1.018063  0.927595  0.529073  1
  H  H18  1  0.518063  0.401145  0.630279  1
  H  H19  1  1.018063  0.196661  0.605872  1
  H  H20  1  0.518063  -0.012758  0.582132  1
  H  H21  1  0.518063  0.786431  0.620174  1
  H  H22  1  1.018063  0.577012  0.596434  1
  H  H23  1  0.518063  0.372528  0.572027  1
  H  H24  1  1.018063  0.846077  0.673233  1
  H  H25  1  1.018063  0.606569  0.654785  1
  H  H26  1  0.518063  0.049212  0.698259  1
  H  H27  1  1.018063  0.872543  0.732107  1
  H  H28  1  0.518063  0.670502  0.707140  1
  H  H29  1  0.518063  0.429711  0.688969  1
  H  H30  1  1.018063  0.225871  0.664264  1
  H  H31  1  0.518063  0.022744  0.639950  1
  H  H32  1  1.018063  0.494912  0.740959  1
  H  H33  1  1.018063  0.253220  0.722783  1
  H  H34  1  0.518063  0.727284  0.824405  1
  H  H35  1  1.018063  0.514993  0.801051  1
  H  H36  1  0.518063  0.317705  0.774397  1
  H  H37  1  0.518063  0.077024  0.756479  1
  H  H38  1  1.018063  0.902604  0.790475  1
  H  H39  1  0.518063  0.695467  0.765918  1
  H  H40  1  1.018063  0.143474  0.809442  1
