# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.38547042
_cell_length_b   4.88848214
_cell_length_c   68.54128128
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.64154638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H39
_cell_volume   790.792489294
_cell_formula_units_Z   19
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  0.784565  0.686688  0.142957  1
  H  H2  1  0.099395  1.038072  0.158347  1
  H  H3  1  0.524225  0.260132  0.134321  1
  H  H4  1  0.671136  0.794349  0.180268  1
  H  H5  1  -0.066776  1.186271  0.190426  1
  H  H6  1  0.363249  0.436852  0.166976  1
  H  H7  1  0.507786  0.935146  0.213331  1
  H  H8  1  0.798013  0.306062  0.225036  1
  H  H9  1  0.235197  0.551913  0.202579  1
  H  H10  1  0.361972  1.058205  0.247542  1
  H  H11  1  0.642655  0.435310  0.258710  1
  H  H12  1  0.076434  0.684934  0.236059  1
  H  H13  1  0.208249  1.186067  0.281328  1
  H  H14  1  0.491400  0.561129  0.292665  1
  H  H15  1  -0.073483  0.809802  0.270093  1
  H  H16  1  0.056415  0.312337  0.315246  1
  H  H17  1  0.338823  0.688022  0.326530  1
  H  H18  1  0.773586  0.937007  0.303932  1
  H  H19  1  0.904025  0.439067  0.349125  1
  H  H20  1  0.186567  0.814639  0.360418  1
  H  H21  1  0.621483  1.063495  0.337831  1
  H  H22  1  0.751635  0.565798  0.383003  1
  H  H23  1  0.034464  0.941128  0.394317  1
  H  H24  1  0.469227  1.190112  0.371719  1
  H  H25  1  0.599801  0.692067  0.416921  1
  H  H26  1  0.881533  1.068332  0.428156  1
  H  H27  1  0.316650  0.317005  0.405584  1
  H  H28  1  0.446078  0.819929  0.450707  1
  H  H29  1  0.731616  1.193200  0.462190  1
  H  H30  1  0.165395  0.442824  0.439539  1
  H  H31  1  0.300264  0.942988  0.484918  1
  H  H32  1  0.572853  0.326221  0.495670  1
  H  H33  1  0.010037  0.572072  0.473213  1
  H  H34  1  0.136914  1.083786  0.517981  1
  H  H35  1  0.444801  0.441282  0.531273  1
  H  H36  1  0.874826  0.691863  0.507823  1
  H  H37  1  0.023485  1.191446  0.555292  1
  H  H38  1  0.283825  0.618003  0.563928  1
  H  H39  1  0.708655  0.840063  0.539902  1
