# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67713186
_cell_length_b   17.16658872
_cell_length_c   48.57041440
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H72
_cell_volume   6239.02339045
_cell_formula_units_Z   36
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  0.736842  0.973684  0.282051  1
  H  H2  1  0.894737  0.289474  0.307692  1
  H  H3  1  0.052632  0.605263  0.333333  1
  H  H4  1  0.894737  0.789474  0.307692  1
  H  H5  1  0.052632  0.105263  0.333333  1
  H  H6  1  0.736842  0.473684  0.282051  1
  H  H7  1  0.394737  0.789474  0.307692  1
  H  H8  1  0.552632  0.105263  0.333333  1
  H  H9  1  0.236842  0.473684  0.282051  1
  H  H10  1  0.236842  0.973684  0.282051  1
  H  H11  1  0.394737  0.289474  0.307692  1
  H  H12  1  0.552632  0.605263  0.333333  1
  H  H13  1  0.210526  0.921053  0.358974  1
  H  H14  1  0.368421  0.236842  0.384615  1
  H  H15  1  0.526316  0.552632  0.410256  1
  H  H16  1  0.368421  0.736842  0.384615  1
  H  H17  1  0.526316  0.052632  0.410256  1
  H  H18  1  0.210526  0.421053  0.358974  1
  H  H19  1  0.868421  0.736842  0.384615  1
  H  H20  1  0.026316  0.052632  0.410256  1
  H  H21  1  0.710526  0.421053  0.358974  1
  H  H22  1  0.710526  0.921053  0.358974  1
  H  H23  1  0.868421  0.236842  0.384615  1
  H  H24  1  0.026316  0.552632  0.410256  1
  H  H25  1  0.684211  0.868421  0.435897  1
  H  H26  1  0.842105  0.184211  0.461538  1
  H  H27  1  1.000000  0.500000  0.487179  1
  H  H28  1  0.842105  0.684211  0.461538  1
  H  H29  1  1.000000  0.000000  0.487179  1
  H  H30  1  0.684211  0.368421  0.435897  1
  H  H31  1  0.342105  0.684211  0.461538  1
  H  H32  1  0.500000  0.000000  0.487179  1
  H  H33  1  0.184211  0.368421  0.435897  1
  H  H34  1  0.184211  0.868421  0.435897  1
  H  H35  1  0.342105  0.184211  0.461538  1
  H  H36  1  0.500000  0.500000  0.487179  1
  H  H37  1  0.157895  0.815789  0.512821  1
  H  H38  1  0.315789  0.131579  0.538462  1
  H  H39  1  0.473684  0.447368  0.564103  1
  H  H40  1  0.315789  0.631579  0.538462  1
  H  H41  1  0.473684  0.947368  0.564103  1
  H  H42  1  0.157895  0.315789  0.512821  1
  H  H43  1  0.815789  0.631579  0.538462  1
  H  H44  1  0.973684  0.947368  0.564103  1
  H  H45  1  0.657895  0.315789  0.512821  1
  H  H46  1  0.657895  0.815789  0.512821  1
  H  H47  1  0.815789  0.131579  0.538462  1
  H  H48  1  0.973684  0.447368  0.564103  1
  H  H49  1  0.631579  0.763158  0.589744  1
  H  H50  1  0.789474  0.078947  0.615385  1
  H  H51  1  0.947368  0.394737  0.641026  1
  H  H52  1  0.789474  0.578947  0.615385  1
  H  H53  1  0.947368  0.894737  0.641026  1
  H  H54  1  0.631579  0.263158  0.589744  1
  H  H55  1  0.289474  0.578947  0.615385  1
  H  H56  1  0.447368  0.894737  0.641026  1
  H  H57  1  0.131579  0.263158  0.589744  1
  H  H58  1  0.131579  0.763158  0.589744  1
  H  H59  1  0.289474  0.078947  0.615385  1
  H  H60  1  0.447368  0.394737  0.641026  1
  H  H61  1  0.105263  0.710526  0.666667  1
  H  H62  1  0.263158  0.026316  0.692308  1
  H  H63  1  0.421053  0.342105  0.717949  1
  H  H64  1  0.263158  0.526316  0.692308  1
  H  H65  1  0.421053  0.842105  0.717949  1
  H  H66  1  0.105263  0.210526  0.666667  1
  H  H67  1  0.763158  0.526316  0.692308  1
  H  H68  1  0.921053  0.842105  0.717949  1
  H  H69  1  0.605263  0.210526  0.666667  1
  H  H70  1  0.605263  0.710526  0.666667  1
  H  H71  1  0.763158  0.026316  0.692308  1
  H  H72  1  0.921053  0.342105  0.717949  1
