# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04142277
_cell_length_b   7.88146850
_cell_length_c   46.44011943
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.34334211
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H66
_cell_volume   1110.94409517
_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  0.151756  0.774517  0.286943  1
  H  H2  1  0.528236  0.094590  0.293746  1
  H  H3  1  0.775276  0.454443  0.280141  1
  H  H4  1  0.268210  0.738727  0.305304  1
  H  H5  1  0.644690  0.058800  0.312107  1
  H  H6  1  0.891731  0.418654  0.298502  1
  H  H7  1  0.405997  0.696381  0.327029  1
  H  H8  1  0.782477  0.016455  0.333831  1
  H  H9  1  0.029518  0.376308  0.320226  1
  H  H10  1  0.532346  0.657551  0.346949  1
  H  H11  1  0.908825  0.977624  0.353752  1
  H  H12  1  0.155866  0.337478  0.340147  1
  H  H13  1  0.663406  0.617273  0.367613  1
  H  H14  1  0.039885  0.937346  0.374416  1
  H  H15  1  0.286926  0.297199  0.360810  1
  H  H16  1  0.792196  0.577692  0.387919  1
  H  H17  1  0.168676  0.897765  0.394722  1
  H  H18  1  0.415716  0.257619  0.381116  1
  H  H19  1  0.922018  0.537794  0.408388  1
  H  H20  1  0.298497  0.857867  0.415190  1
  H  H21  1  0.545538  0.217721  0.401585  1
  H  H22  1  0.051356  0.498045  0.428780  1
  H  H23  1  0.427836  0.818118  0.435583  1
  H  H24  1  0.674876  0.177972  0.421977  1
  H  H25  1  0.180919  0.458227  0.449207  1
  H  H26  1  0.557398  0.778300  0.456010  1
  H  H27  1  0.804439  0.138153  0.442405  1
  H  H28  1  0.310375  0.418441  0.469618  1
  H  H29  1  0.686855  0.738514  0.476421  1
  H  H30  1  0.933895  0.098368  0.462816  1
  H  H31  1  0.439885  0.378639  0.490038  1
  H  H32  1  0.816364  0.698713  0.496840  1
  H  H33  1  0.063405  0.058566  0.483235  1
  H  H34  1  0.569361  0.338848  0.510452  1
  H  H35  1  0.945841  0.658921  0.517254  1
  H  H36  1  0.192882  0.018774  0.503649  1
  H  H37  1  0.698871  0.299046  0.530871  1
  H  H38  1  0.075350  0.619119  0.537674  1
  H  H39  1  0.322391  0.978973  0.524068  1
  H  H40  1  0.828327  0.259260  0.551282  1
  H  H41  1  0.204807  0.579333  0.558085  1
  H  H42  1  0.451848  0.939187  0.544479  1
  H  H43  1  0.957890  0.219442  0.571709  1
  H  H44  1  0.334369  0.539515  0.578512  1
  H  H45  1  0.581410  0.899369  0.564907  1
  H  H46  1  0.087228  0.179693  0.592102  1
  H  H47  1  0.463708  0.499766  0.598904  1
  H  H48  1  0.710748  0.859620  0.585299  1
  H  H49  1  0.217050  0.139795  0.612570  1
  H  H50  1  0.593530  0.459868  0.619373  1
  H  H51  1  0.840570  0.819722  0.605768  1
  H  H52  1  0.345840  0.100214  0.632876  1
  H  H53  1  0.722320  0.420288  0.639679  1
  H  H54  1  0.969361  0.780141  0.626073  1
  H  H55  1  0.476900  0.059936  0.653540  1
  H  H56  1  0.853380  0.380009  0.660343  1
  H  H57  1  0.100420  0.739863  0.646737  1
  H  H58  1  0.603248  0.021106  0.673461  1
  H  H59  1  0.979728  0.341179  0.680263  1
  H  H60  1  0.226769  0.701032  0.666658  1
  H  H61  1  0.741035  0.978760  0.695185  1
  H  H62  1  0.117515  0.298833  0.701988  1
  H  H63  1  0.364556  0.658687  0.688382  1
  H  H64  1  0.857490  0.942970  0.713546  1
  H  H65  1  0.233969  0.263044  0.720349  1
  H  H66  1  0.481010  0.622897  0.706743  1
