# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85378036
_cell_length_b   7.86671141
_cell_length_c   46.10355490
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.32469126
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H60
_cell_volume   1020.2965352
_cell_formula_units_Z   30
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  0.777322  0.480629  0.282807  1
  H  H2  1  0.104818  0.826562  0.290215  1
  H  H3  1  0.432314  0.172496  0.297622  1
  H  H4  1  0.761565  0.514640  0.302802  1
  H  H5  1  0.089060  0.860574  0.310209  1
  H  H6  1  0.416556  0.206507  0.317617  1
  H  H7  1  0.742921  0.554882  0.326460  1
  H  H8  1  0.070416  0.900815  0.333867  1
  H  H9  1  0.397912  0.246749  0.341274  1
  H  H10  1  0.725824  0.591783  0.348153  1
  H  H11  1  0.053320  0.937716  0.355561  1
  H  H12  1  0.380816  0.283650  0.362968  1
  H  H13  1  0.708090  0.630060  0.370656  1
  H  H14  1  0.035586  0.975993  0.378063  1
  H  H15  1  0.363082  0.321927  0.385470  1
  H  H16  1  0.690664  0.667674  0.392768  1
  H  H17  1  0.018159  0.013607  0.400176  1
  H  H18  1  0.345655  0.359541  0.407583  1
  H  H19  1  0.673097  0.705590  0.415059  1
  H  H20  1  0.000593  0.051523  0.422466  1
  H  H21  1  0.328088  0.397456  0.429873  1
  H  H22  1  0.655596  0.743363  0.437265  1
  H  H23  1  0.983092  0.089297  0.444673  1
  H  H24  1  0.310588  0.435230  0.452080  1
  H  H25  1  0.638065  0.781204  0.459511  1
  H  H26  1  0.965560  0.127137  0.466919  1
  H  H27  1  0.293056  0.473071  0.474326  1
  H  H28  1  0.620548  0.819011  0.481737  1
  H  H29  1  0.948044  0.164944  0.489145  1
  H  H30  1  0.275540  0.510878  0.496552  1
  H  H31  1  0.603023  0.856839  0.503976  1
  H  H32  1  0.930518  0.202772  0.511383  1
  H  H33  1  0.258014  0.548705  0.518791  1
  H  H34  1  0.585506  0.894646  0.526202  1
  H  H35  1  0.913002  0.240579  0.533609  1
  H  H36  1  0.240498  0.586513  0.541017  1
  H  H37  1  0.567975  0.932486  0.548448  1
  H  H38  1  0.895470  0.278420  0.555855  1
  H  H39  1  0.222966  0.624353  0.563263  1
  H  H40  1  0.550474  0.970260  0.570655  1
  H  H41  1  0.877970  0.316193  0.578062  1
  H  H42  1  0.205465  0.662127  0.585470  1
  H  H43  1  0.532908  0.008176  0.592945  1
  H  H44  1  0.860403  0.354109  0.600352  1
  H  H45  1  0.187899  0.700042  0.607760  1
  H  H46  1  0.515481  0.045790  0.615058  1
  H  H47  1  0.842976  0.391723  0.622465  1
  H  H48  1  0.170472  0.737656  0.629872  1
  H  H49  1  0.497747  0.084067  0.637560  1
  H  H50  1  0.825242  0.430000  0.644968  1
  H  H51  1  0.152738  0.775934  0.652375  1
  H  H52  1  0.480650  0.120968  0.659254  1
  H  H53  1  0.808146  0.466901  0.666661  1
  H  H54  1  0.135642  0.812834  0.674069  1
  H  H55  1  0.462006  0.161209  0.682911  1
  H  H56  1  0.789502  0.507143  0.690319  1
  H  H57  1  0.116998  0.853076  0.697726  1
  H  H58  1  0.446249  0.195221  0.702906  1
  H  H59  1  0.773744  0.541154  0.710313  1
  H  H60  1  0.101240  0.887087  0.717721  1
