# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65307800
_cell_length_b   5.36419547
_cell_length_c   49.18818031
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   73.42087042
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H72
_cell_volume   1935.35365989
_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  0.431618  0.841912  0.316976  1
  H  H2  1  0.996164  0.019182  0.291976  1
  H  H3  1  0.454733  0.726337  0.308024  1
  H  H4  1  0.019279  0.903607  0.283024  1
  H  H5  1  0.213891  0.430547  0.304476  1
  H  H6  1  0.778437  0.607817  0.279476  1
  H  H7  1  0.237006  0.314972  0.295524  1
  H  H8  1  0.672460  0.137702  0.320524  1
  H  H9  1  0.302526  0.487372  0.366976  1
  H  H10  1  0.867072  0.664642  0.341976  1
  H  H11  1  0.325641  0.371796  0.358024  1
  H  H12  1  0.890187  0.549067  0.333024  1
  H  H13  1  0.084799  0.076007  0.354476  1
  H  H14  1  0.649345  0.253277  0.329476  1
  H  H15  1  0.107914  0.960432  0.345524  1
  H  H16  1  0.543368  0.783161  0.370524  1
  H  H17  1  0.173434  0.132832  0.416976  1
  H  H18  1  0.737980  0.310102  0.391976  1
  H  H19  1  0.196549  0.017256  0.408024  1
  H  H20  1  0.761095  0.194526  0.383024  1
  H  H21  1  0.955707  0.721467  0.404476  1
  H  H22  1  0.520253  0.898737  0.379476  1
  H  H23  1  0.978822  0.605891  0.395524  1
  H  H24  1  0.414276  0.428621  0.420524  1
  H  H25  1  0.044342  0.778291  0.466976  1
  H  H26  1  0.608888  0.955561  0.441976  1
  H  H27  1  0.067457  0.662716  0.458024  1
  H  H28  1  0.632003  0.839986  0.433024  1
  H  H29  1  0.826615  0.366926  0.454476  1
  H  H30  1  0.391161  0.544197  0.429476  1
  H  H31  1  0.849730  0.251351  0.445524  1
  H  H32  1  0.285184  0.074081  0.470524  1
  H  H33  1  0.915250  0.423751  0.516976  1
  H  H34  1  0.479796  0.601021  0.491976  1
  H  H35  1  0.938365  0.308176  0.508024  1
  H  H36  1  0.502911  0.485446  0.483024  1
  H  H37  1  0.697523  0.012386  0.504476  1
  H  H38  1  0.262069  0.189656  0.479476  1
  H  H39  1  0.720638  0.896811  0.495524  1
  H  H40  1  0.156092  0.719541  0.520524  1
  H  H41  1  0.786158  0.069211  0.566976  1
  H  H42  1  0.350704  0.246481  0.541976  1
  H  H43  1  0.809273  0.953636  0.558024  1
  H  H44  1  0.373819  0.130906  0.533024  1
  H  H45  1  0.568431  0.657846  0.554476  1
  H  H46  1  0.132977  0.835116  0.529476  1
  H  H47  1  0.591546  0.542271  0.545524  1
  H  H48  1  0.027000  0.365001  0.570524  1
  H  H49  1  0.657066  0.714671  0.616976  1
  H  H50  1  0.221612  0.891941  0.591976  1
  H  H51  1  0.680181  0.599096  0.608024  1
  H  H52  1  0.244727  0.776366  0.583024  1
  H  H53  1  0.439339  0.303306  0.604476  1
  H  H54  1  0.003885  0.480576  0.579476  1
  H  H55  1  0.462454  0.187731  0.595524  1
  H  H56  1  0.897908  0.010461  0.620524  1
  H  H57  1  0.527974  0.360131  0.666976  1
  H  H58  1  0.092520  0.537401  0.641976  1
  H  H59  1  0.551089  0.244556  0.658024  1
  H  H60  1  0.115635  0.421826  0.633024  1
  H  H61  1  0.310247  0.948766  0.654476  1
  H  H62  1  0.874793  0.126036  0.629476  1
  H  H63  1  0.333362  0.833191  0.645524  1
  H  H64  1  0.768816  0.655921  0.670524  1
  H  H65  1  0.398882  0.005591  0.716976  1
  H  H66  1  0.963428  0.182861  0.691976  1
  H  H67  1  0.421997  0.890016  0.708024  1
  H  H68  1  0.986543  0.067286  0.683024  1
  H  H69  1  0.181155  0.594226  0.704476  1
  H  H70  1  0.745701  0.771496  0.679476  1
  H  H71  1  0.204270  0.478651  0.695524  1
  H  H72  1  0.639724  0.301381  0.720524  1
