# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.37510781
_cell_length_b   4.88893651
_cell_length_c   68.36919406
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.64484169
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H39
_cell_volume   785.460055578
_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  0.778029  0.695113  0.143649  1
  H  H2  1  0.086153  1.049248  0.158737  1
  H  H3  1  0.510079  0.271785  0.134718  1
  H  H4  1  0.656808  0.804532  0.180649  1
  H  H5  1  -0.076834  1.193860  0.190997  1
  H  H6  1  0.354647  0.444980  0.167610  1
  H  H7  1  0.497209  0.942216  0.213855  1
  H  H8  1  0.785728  0.313999  0.225488  1
  H  H9  1  0.221082  0.560824  0.202970  1
  H  H10  1  0.351808  1.065416  0.248041  1
  H  H11  1  0.634105  0.441870  0.259259  1
  H  H12  1  0.066623  0.691773  0.236586  1
  H  H13  1  0.201266  1.192260  0.281904  1
  H  H14  1  0.485042  0.567253  0.293245  1
  H  H15  1  -0.081682  0.816438  0.270634  1
  H  H16  1  0.051852  0.317974  0.315863  1
  H  H17  1  0.335203  0.693386  0.327167  1
  H  H18  1  0.768266  0.942795  0.304538  1
  H  H19  1  0.902120  0.443998  0.349795  1
  H  H20  1  0.185546  0.819337  0.361106  1
  H  H21  1  0.618694  1.068660  0.338484  1
  H  H22  1  0.752389  0.570023  0.383727  1
  H  H23  1  0.035975  0.945202  0.395051  1
  H  H24  1  0.469038  1.194611  0.372422  1
  H  H25  1  0.602974  0.695737  0.417685  1
  H  H26  1  0.885923  1.071559  0.428955  1
  H  H27  1  0.319199  0.320744  0.406344  1
  H  H28  1  0.452432  0.822581  0.451548  1
  H  H29  1  0.737618  1.196224  0.463004  1
  H  H30  1  0.170136  0.446127  0.440330  1
  H  H31  1  0.307031  0.945781  0.485734  1
  H  H32  1  0.583159  0.327173  0.496619  1
  H  H33  1  0.018513  0.573998  0.474101  1
  H  H34  1  0.147432  1.083465  0.518940  1
  H  H35  1  0.449594  0.443017  0.531979  1
  H  H36  1  0.881074  0.694137  0.508592  1
  H  H37  1  0.026211  1.192884  0.555941  1
  H  H38  1  0.294162  0.616212  0.564871  1
  H  H39  1  0.718088  0.838749  0.540853  1
