# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07213277
_cell_length_b   4.45960470
_cell_length_c   47.14506304
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.56583560
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H66
_cell_volume   1270.63695334
_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  0.590844  0.929362  0.291878  1
  H  H2  1  0.940905  0.836896  0.307727  1
  H  H3  1  0.229017  1.002851  0.278395  1
  H  H4  1  0.486460  0.409307  0.296609  1
  H  H5  1  0.781688  0.564402  0.268290  1
  H  H6  1  0.137789  0.488066  0.282169  1
  H  H7  1  0.648737  0.666438  0.335412  1
  H  H8  1  1.002009  0.579694  0.349581  1
  H  H9  1  0.296438  0.753085  0.321791  1
  H  H10  1  0.546722  0.148578  0.337998  1
  H  H11  1  0.843094  0.317024  0.310590  1
  H  H12  1  0.194149  0.234107  0.324609  1
  H  H13  1  0.706583  0.408519  0.377146  1
  H  H14  1  0.058716  0.323250  0.391210  1
  H  H15  1  0.355007  0.493720  0.363396  1
  H  H16  1  0.600925  0.893430  0.379752  1
  H  H17  1  0.898423  0.062920  0.352271  1
  H  H18  1  0.250068  0.978501  0.366048  1
  H  H19  1  0.761586  0.152707  0.418933  1
  H  H20  1  0.112978  0.067288  0.432873  1
  H  H21  1  0.410366  0.237921  0.405100  1
  H  H22  1  0.654487  0.637910  0.421309  1
  H  H23  1  0.952228  0.807894  0.393746  1
  H  H24  1  0.303433  0.723026  0.407516  1
  H  H25  1  0.815258  0.896651  0.460595  1
  H  H26  1  0.166443  0.811387  0.474493  1
  H  H27  1  0.464187  0.981876  0.446745  1
  H  H28  1  0.707904  0.382407  0.462916  1
  H  H29  1  0.005711  0.552652  0.435242  1
  H  H30  1  0.356870  0.467612  0.449079  1
  H  H31  1  0.868631  0.640858  0.502223  1
  H  H32  1  0.219766  0.555657  0.516089  1
  H  H33  1  0.517576  0.726088  0.488372  1
  H  H34  1  0.761229  0.126687  0.504524  1
  H  H35  1  0.059039  0.297118  0.476807  1
  H  H36  1  0.410174  0.211917  0.490673  1
  H  H37  1  0.921935  0.385163  0.543817  1
  H  H38  1  0.273094  0.300123  0.557655  1
  H  H39  1  0.570901  0.470368  0.529980  1
  H  H40  1  0.814618  0.870899  0.546152  1
  H  H41  1  0.112362  0.041388  0.518404  1
  H  H42  1  0.463547  0.956124  0.532301  1
  H  H43  1  0.975372  0.129749  0.585381  1
  H  H44  1  0.326577  0.044882  0.599150  1
  H  H45  1  0.624318  0.214865  0.571587  1
  H  H46  1  0.868439  0.614854  0.587797  1
  H  H47  1  0.165827  0.785487  0.560023  1
  H  H48  1  0.517219  0.700069  0.573964  1
  H  H49  1  0.028737  0.874274  0.626848  1
  H  H50  1  0.380382  0.789855  0.640626  1
  H  H51  1  0.677880  0.959345  0.613145  1
  H  H52  1  0.923798  0.359055  0.629500  1
  H  H53  1  0.220089  0.529525  0.601687  1
  H  H54  1  0.572222  0.444256  0.615751  1
  H  H55  1  0.084656  0.618668  0.668287  1
  H  H56  1  0.435711  0.535751  0.682306  1
  H  H57  1  0.732083  0.704198  0.654898  1
  H  H58  1  0.982367  0.099690  0.671105  1
  H  H59  1  0.276796  0.273082  0.643316  1
  H  H60  1  0.630068  0.186337  0.657485  1
  H  H61  1  0.141016  0.364709  0.710727  1
  H  H62  1  0.497117  0.288374  0.724606  1
  H  H63  1  0.792345  0.443468  0.696287  1
  H  H64  1  0.049788  0.849925  0.714502  1
  H  H65  1  0.337900  0.015880  0.685170  1
  H  H66  1  0.687961  0.923413  0.701018  1
