# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77472721
_cell_length_b   7.91544507
_cell_length_c   50.84564530
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H72
_cell_volume   1519.19903023
_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  0.998262  0.444587  0.250529  1
  H  H2  1  1.001424  0.592799  0.288256  1
  H  H3  1  0.926978  0.864168  0.274583  1
  H  H4  1  0.928234  0.149578  0.262095  1
  H  H5  1  0.496875  0.364168  0.274583  1
  H  H6  1  0.495619  0.649578  0.262095  1
  H  H7  1  0.425590  0.944587  0.250529  1
  H  H8  1  0.422429  0.092799  0.288256  1
  H  H9  1  1.000752  0.315053  0.299237  1
  H  H10  1  1.005650  0.488894  0.334928  1
  H  H11  1  0.918992  0.765094  0.323244  1
  H  H12  1  0.919872  0.038239  0.310908  1
  H  H13  1  0.504861  0.265094  0.323244  1
  H  H14  1  0.503980  0.538239  0.310908  1
  H  H15  1  0.423101  0.815053  0.299237  1
  H  H16  1  0.418202  -0.011106  0.334928  1
  H  H17  1  1.005841  0.213014  0.346615  1
  H  H18  1  1.007077  0.387217  0.382380  1
  H  H19  1  0.917214  0.662904  0.370502  1
  H  H20  1  0.917254  0.938803  0.358671  1
  H  H21  1  0.506639  0.162904  0.370502  1
  H  H22  1  0.506599  0.438803  0.358671  1
  H  H23  1  0.418011  0.713014  0.346615  1
  H  H24  1  0.416776  0.887217  0.382380  1
  H  H25  1  1.007283  0.111885  0.394305  1
  H  H26  1  1.007591  0.285889  0.429950  1
  H  H27  1  0.916359  0.560993  0.418062  1
  H  H28  1  0.916441  0.836656  0.406173  1
  H  H29  1  0.507493  0.060993  0.418062  1
  H  H30  1  0.507412  0.336656  0.406173  1
  H  H31  1  0.416570  0.611885  0.394305  1
  H  H32  1  0.416262  0.785889  0.429950  1
  H  H33  1  1.007625  0.010293  0.441838  1
  H  H34  1  1.007625  0.184356  0.477486  1
  H  H35  1  0.916192  0.459549  0.465613  1
  H  H36  1  0.916192  0.735100  0.453711  1
  H  H37  1  0.507661  -0.040451  0.465613  1
  H  H38  1  0.507661  0.235100  0.453711  1
  H  H39  1  0.416227  0.510293  0.441838  1
  H  H40  1  0.416227  0.684356  0.477486  1
  H  H41  1  1.007591  0.908761  0.489374  1
  H  H42  1  1.007283  0.082764  0.525019  1
  H  H43  1  0.916441  0.357993  0.513151  1
  H  H44  1  0.916359  0.633657  0.501263  1
  H  H45  1  0.507412  0.857993  0.513151  1
  H  H46  1  0.507493  0.133657  0.501263  1
  H  H47  1  0.416262  0.408761  0.489374  1
  H  H48  1  0.416570  0.582764  0.525019  1
  H  H49  1  1.007077  0.807433  0.536944  1
  H  H50  1  1.005841  -0.018364  0.572710  1
  H  H51  1  0.917254  0.255847  0.560654  1
  H  H52  1  0.917214  0.531746  0.548822  1
  H  H53  1  0.506599  0.755847  0.560654  1
  H  H54  1  0.506639  0.031746  0.548822  1
  H  H55  1  0.416776  0.307433  0.536944  1
  H  H56  1  0.418011  0.481636  0.572710  1
  H  H57  1  1.005650  0.705755  0.584397  1
  H  H58  1  1.000752  0.879597  0.620087  1
  H  H59  1  0.919872  0.156411  0.608417  1
  H  H60  1  0.918992  0.429556  0.596080  1
  H  H61  1  0.503980  0.656411  0.608417  1
  H  H62  1  0.504861  0.929556  0.596080  1
  H  H63  1  0.418202  0.205755  0.584397  1
  H  H64  1  0.423101  0.379597  0.620087  1
  H  H65  1  1.001424  0.601850  0.631068  1
  H  H66  1  0.998262  0.750062  0.668796  1
  H  H67  1  0.928234  0.045072  0.657229  1
  H  H68  1  0.926978  0.330481  0.644741  1
  H  H69  1  0.495619  0.545072  0.657229  1
  H  H70  1  0.496875  0.830481  0.644741  1
  H  H71  1  0.422429  0.101850  0.631068  1
  H  H72  1  0.425590  0.250062  0.668796  1
