# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.28000101
_cell_length_b   11.74469034
_cell_length_c   48.77886339
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.39063648
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H66
_cell_volume   1299.94101319
_cell_formula_units_Z   33
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  0.307582  0.896118  0.271031  1
  H  H2  1  0.146988  0.217542  0.284416  1
  H  H3  1  0.468065  0.575319  0.257680  1
  H  H4  1  0.733159  0.045109  0.294425  1
  H  H5  1  0.056291  0.399137  0.266774  1
  H  H6  1  0.894139  0.723091  0.280991  1
  H  H7  1  0.823169  0.865098  0.313521  1
  H  H8  1  0.661567  0.188492  0.326837  1
  H  H9  1  0.984968  0.541577  0.299739  1
  H  H10  1  0.248264  0.015018  0.336183  1
  H  H11  1  0.571728  0.368177  0.308651  1
  H  H12  1  0.409984  0.691532  0.322501  1
  H  H13  1  0.338573  0.834412  0.354850  1
  H  H14  1  0.177137  0.157393  0.368503  1
  H  H15  1  0.500293  0.511012  0.341011  1
  H  H16  1  0.763826  0.983987  0.377844  1
  H  H17  1  0.087012  0.337624  0.350139  1
  H  H18  1  0.925404  0.660797  0.364063  1
  H  H19  1  0.854050  0.803556  0.396435  1
  H  H20  1  0.692568  0.126585  0.410219  1
  H  H21  1  0.015669  0.480330  0.382576  1
  H  H22  1  0.279295  0.953130  0.419532  1
  H  H23  1  0.602429  0.306842  0.391777  1
  H  H24  1  0.440854  0.629986  0.405703  1
  H  H25  1  0.369508  0.772732  0.438067  1
  H  H26  1  0.208003  0.095783  0.451910  1
  H  H27  1  0.531091  0.449559  0.424198  1
  H  H28  1  0.794746  0.922306  0.461202  1
  H  H29  1  0.117840  0.276084  0.433445  1
  H  H30  1  0.956302  0.599175  0.447346  1
  H  H31  1  0.884958  0.741916  0.479710  1
  H  H32  1  0.723437  0.064985  0.493587  1
  H  H33  1  0.046520  0.418779  0.465842  1
  H  H34  1  0.310186  0.891504  0.502860  1
  H  H35  1  0.633268  0.245298  0.475115  1
  H  H36  1  0.471747  0.568367  0.488992  1
  H  H37  1  0.400403  0.711108  0.521356  1
  H  H38  1  0.238866  0.034199  0.535258  1
  H  H39  1  0.561959  0.387977  0.507500  1
  H  H40  1  0.825614  0.860724  0.544505  1
  H  H41  1  0.148702  0.214499  0.516792  1
  H  H42  1  0.987197  0.537551  0.530635  1
  H  H43  1  0.915851  0.680296  0.562999  1
  H  H44  1  0.754276  0.003441  0.576926  1
  H  H45  1  0.077410  0.357153  0.549170  1
  H  H46  1  0.341036  0.829953  0.586126  1
  H  H47  1  0.664137  0.183698  0.558483  1
  H  H48  1  0.502655  0.506726  0.572267  1
  H  H49  1  0.431301  0.649486  0.604639  1
  H  H50  1  0.269693  0.972658  0.618564  1
  H  H51  1  0.592879  0.326296  0.590859  1
  H  H52  1  0.856412  0.799270  0.627691  1
  H  H53  1  0.179568  0.152890  0.600199  1
  H  H54  1  0.018133  0.475871  0.613852  1
  H  H55  1  0.946721  0.618750  0.646202  1
  H  H56  1  0.784977  0.942106  0.660051  1
  H  H57  1  0.108441  0.295265  0.632520  1
  H  H58  1  0.371737  0.768705  0.668964  1
  H  H59  1  0.695138  0.121791  0.641865  1
  H  H60  1  0.533536  0.445185  0.655181  1
  H  H61  1  0.462566  0.587192  0.687711  1
  H  H62  1  0.300414  0.911146  0.701929  1
  H  H63  1  0.623546  0.265173  0.674277  1
  H  H64  1  0.888640  0.734964  0.711023  1
  H  H65  1  0.209717  0.092741  0.684286  1
  H  H66  1  0.049123  0.414165  0.697671  1
