# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84021283
_cell_length_b   8.94184460
_cell_length_c   46.44988812
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.70298392
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H72
_cell_volume   1935.33940355
_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  0.553251  0.606497  0.277240  1
  H  H2  1  0.783490  0.066976  0.302240  1
  H  H3  1  0.742264  0.984524  0.297763  1
  H  H4  1  0.972503  0.445003  0.322763  1
  H  H5  1  0.168370  0.836737  0.289740  1
  H  H6  1  0.398610  0.297216  0.314740  1
  H  H7  1  0.127144  0.754284  0.285263  1
  H  H8  1  0.357384  0.214763  0.310263  1
  H  H9  1  0.013730  0.527456  0.327240  1
  H  H10  1  0.243969  0.987935  0.352240  1
  H  H11  1  0.202743  0.905482  0.347763  1
  H  H12  1  0.432982  0.365961  0.372763  1
  H  H13  1  0.628850  0.757695  0.339740  1
  H  H14  1  0.859089  0.218174  0.364740  1
  H  H15  1  0.587623  0.675242  0.335263  1
  H  H16  1  0.817863  0.135721  0.360263  1
  H  H17  1  0.474209  0.448414  0.377240  1
  H  H18  1  0.704448  0.908893  0.402240  1
  H  H19  1  0.663222  0.826440  0.397763  1
  H  H20  1  0.893462  0.286919  0.422763  1
  H  H21  1  0.089329  0.678653  0.389740  1
  H  H22  1  0.319568  0.139133  0.414740  1
  H  H23  1  0.048102  0.596201  0.385263  1
  H  H24  1  0.278342  0.056680  0.410263  1
  H  H25  1  0.934688  0.369372  0.427240  1
  H  H26  1  0.164928  0.829851  0.452240  1
  H  H27  1  0.123701  0.747399  0.447763  1
  H  H28  1  0.353941  0.207878  0.472763  1
  H  H29  1  0.549808  0.599612  0.439740  1
  H  H30  1  0.780047  0.060091  0.464740  1
  H  H31  1  0.508581  0.517159  0.435263  1
  H  H32  1  0.738821  0.977638  0.460263  1
  H  H33  1  0.395167  0.290331  0.477240  1
  H  H34  1  0.625407  0.750810  0.502240  1
  H  H35  1  0.584180  0.668357  0.497763  1
  H  H36  1  0.814420  0.128836  0.522763  1
  H  H37  1  0.010287  0.520570  0.489740  1
  H  H38  1  0.240527  0.981049  0.514740  1
  H  H39  1  0.969061  0.438117  0.485263  1
  H  H40  1  0.199300  0.898596  0.510263  1
  H  H41  1  0.855646  0.211289  0.527240  1
  H  H42  1  0.085886  0.671768  0.552240  1
  H  H43  1  0.044660  0.589315  0.547763  1
  H  H44  1  0.274899  0.049794  0.572763  1
  H  H45  1  0.470766  0.441528  0.539740  1
  H  H46  1  0.701006  0.902008  0.564740  1
  H  H47  1  0.429540  0.359076  0.535263  1
  H  H48  1  0.659779  0.819555  0.560263  1
  H  H49  1  0.316126  0.132247  0.577240  1
  H  H50  1  0.546365  0.592726  0.602240  1
  H  H51  1  0.505139  0.510274  0.597763  1
  H  H52  1  0.735378  0.970753  0.622763  1
  H  H53  1  0.931245  0.362487  0.589740  1
  H  H54  1  0.161485  0.822966  0.614740  1
  H  H55  1  0.890019  0.280034  0.585263  1
  H  H56  1  0.120258  0.740513  0.610263  1
  H  H57  1  0.776605  0.053206  0.627240  1
  H  H58  1  0.006844  0.513685  0.652240  1
  H  H59  1  0.965618  0.431232  0.647763  1
  H  H60  1  0.195857  0.891711  0.672763  1
  H  H61  1  0.391724  0.283445  0.639740  1
  H  H62  1  0.621964  0.743924  0.664740  1
  H  H63  1  0.350498  0.200992  0.635263  1
  H  H64  1  0.580738  0.661471  0.660263  1
  H  H65  1  0.237084  0.974164  0.677240  1
  H  H66  1  0.467323  0.434643  0.702240  1
  H  H67  1  0.426097  0.352190  0.697763  1
  H  H68  1  0.656337  0.812669  0.722763  1
  H  H69  1  0.852204  0.204403  0.689740  1
  H  H70  1  0.082443  0.664883  0.714740  1
  H  H71  1  0.810977  0.121951  0.685263  1
  H  H72  1  0.041217  0.582430  0.710263  1
