# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.28883480
_cell_length_b   5.87820813
_cell_length_c   63.85429906
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.70127891
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H42
_cell_volume   851.362525699
_cell_formula_units_Z   21
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  0.235004  0.563936  0.161412  1
  H  H2  1  0.559116  0.257263  0.144639  1
  H  H3  1  0.886329  0.906177  0.152680  1
  H  H4  1  0.705177  0.512194  0.193300  1
  H  H5  1  1.016719  0.202668  0.176829  1
  H  H6  1  0.358366  0.858299  0.185013  1
  H  H7  1  0.171886  0.460309  0.225213  1
  H  H8  1  0.478339  0.151469  0.208524  1
  H  H9  1  0.823966  0.805718  0.216829  1
  H  H10  1  0.637324  0.408377  0.257152  1
  H  H11  1  0.941529  0.099399  0.240385  1
  H  H12  1  0.289061  0.753862  0.248752  1
  H  H13  1  1.102383  0.356541  0.289084  1
  H  H14  1  0.405812  0.047557  0.272288  1
  H  H15  1  0.753973  0.702036  0.280679  1
  H  H16  1  0.567320  0.304746  0.321011  1
  H  H17  1  0.870468  0.995761  0.304203  1
  H  H18  1  0.218851  0.650249  0.312604  1
  H  H19  1  1.032203  0.252970  0.352937  1
  H  H20  1  0.335256  0.943985  0.336123  1
  H  H21  1  0.683719  0.598477  0.344529  1
  H  H22  1  0.497047  0.201199  0.384861  1
  H  H23  1  0.800100  0.892214  0.368047  1
  H  H24  1  1.148584  0.546708  0.376455  1
  H  H25  1  0.961834  0.149424  0.416781  1
  H  H26  1  0.264983  0.840438  0.399973  1
  H  H27  1  0.613452  0.494935  0.408380  1
  H  H28  1  0.426491  0.097628  0.448696  1
  H  H29  1  0.729920  0.788643  0.431900  1
  H  H30  1  1.078330  0.443148  0.440306  1
  H  H31  1  0.890774  0.045785  0.480599  1
  H  H32  1  0.194979  0.736807  0.463833  1
  H  H33  1  0.543242  0.391322  0.472232  1
  H  H34  1  0.353964  0.993715  0.512460  1
  H  H35  1  0.660416  0.684875  0.495772  1
  H  H36  1  1.008337  0.339466  0.504155  1
  H  H37  1  0.815584  0.942517  0.544155  1
  H  H38  1  1.127125  0.632990  0.527684  1
  H  H39  1  0.473937  0.286885  0.535971  1
  H  H40  1  0.273187  0.887921  0.576345  1
  H  H41  1  0.597299  0.581249  0.559572  1
  H  H42  1  0.945974  0.239007  0.568304  1
