# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81800382
_cell_length_b   8.20309313
_cell_length_c   49.85455562
_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   H78
_cell_volume   1561.41681045
_cell_formula_units_Z   39
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  0.754434  0.862097  0.261597  1
  H  H2  1  0.754434  0.442889  0.285509  1
  H  H3  1  0.754434  0.150721  0.273458  1
  H  H4  1  0.254434  0.884720  0.288124  1
  H  H5  1  0.254434  0.614789  0.275220  1
  H  H6  1  0.254434  0.325795  0.265238  1
  H  H7  1  0.754434  0.710085  0.299277  1
  H  H8  1  0.754434  0.253126  0.320592  1
  H  H9  1  0.754434  0.980843  0.310101  1
  H  H10  1  0.254434  0.683211  0.323115  1
  H  H11  1  0.254434  0.417580  0.311322  1
  H  H12  1  0.254434  0.146938  0.300756  1
  H  H13  1  0.754434  0.519688  0.332851  1
  H  H14  1  0.754434  0.058592  0.355585  1
  H  H15  1  0.754434  0.789213  0.344579  1
  H  H16  1  0.254434  0.484962  0.357474  1
  H  H17  1  0.254434  0.217739  0.345955  1
  H  H18  1  0.254434  0.948865  0.334704  1
  H  H19  1  0.754434  0.325618  0.367097  1
  H  H20  1  0.754434  0.861938  0.390192  1
  H  H21  1  0.754434  0.593483  0.378754  1
  H  H22  1  0.254434  0.287801  0.391760  1
  H  H23  1  0.254434  0.019917  0.380279  1
  H  H24  1  0.254434  0.751966  0.368964  1
  H  H25  1  0.754434  0.129625  0.401587  1
  H  H26  1  0.754434  0.665339  0.424589  1
  H  H27  1  0.754434  0.397325  0.413088  1
  H  H28  1  0.254434  0.091391  0.426159  1
  H  H29  1  0.254434  0.823492  0.414725  1
  H  H30  1  0.254434  0.555574  0.403291  1
  H  H31  1  0.754434  0.933263  0.436053  1
  H  H32  1  0.754434  0.468937  0.458983  1
  H  H33  1  0.754434  0.201071  0.447508  1
  H  H34  1  0.254434  0.895019  0.460585  1
  H  H35  1  0.254434  0.627121  0.449125  1
  H  H36  1  0.254434  0.359236  0.437645  1
  H  H37  1  0.754434  0.736842  0.470460  1
  H  H38  1  0.754434  0.272585  0.493400  1
  H  H39  1  0.754434  1.004727  0.481930  1
  H  H40  1  0.254434  0.698630  0.494990  1
  H  H41  1  0.254434  0.430746  0.483520  1
  H  H42  1  0.254434  0.162888  0.472050  1
  H  H43  1  0.754434  0.540454  0.504865  1
  H  H44  1  0.754434  0.076237  0.527805  1
  H  H45  1  0.754434  0.808352  0.516325  1
  H  H46  1  0.254434  0.502210  0.529397  1
  H  H47  1  0.254434  0.234402  0.517941  1
  H  H48  1  0.254434  0.966536  0.506466  1
  H  H49  1  0.754434  0.344082  0.539291  1
  H  H50  1  0.754434  0.879899  0.562158  1
  H  H51  1  0.754434  0.611981  0.550725  1
  H  H52  1  0.254434  0.305848  0.563863  1
  H  H53  1  0.254434  0.038148  0.552362  1
  H  H54  1  0.254434  0.770134  0.540861  1
  H  H55  1  0.754434  0.147672  0.573690  1
  H  H56  1  0.754434  0.683507  0.596486  1
  H  H57  1  0.754434  0.415555  0.585171  1
  H  H58  1  0.254434  0.109855  0.598353  1
  H  H59  1  0.254434  0.841990  0.586696  1
  H  H60  1  0.254434  0.573535  0.575258  1
  H  H61  1  0.754434  0.950511  0.607976  1
  H  H62  1  0.754434  0.486608  0.630746  1
  H  H63  1  0.754434  0.217734  0.619495  1
  H  H64  1  0.254434  0.915785  0.632599  1
  H  H65  1  0.254434  0.646259  0.620871  1
  H  H66  1  0.254434  0.376881  0.609864  1
  H  H67  1  0.754434  0.752262  0.642335  1
  H  H68  1  0.754434  0.288535  0.664694  1
  H  H69  1  0.754434  0.017893  0.654128  1
  H  H70  1  0.254434  0.725388  0.666173  1
  H  H71  1  0.254434  0.454630  0.655349  1
  H  H72  1  0.254434  0.182347  0.644858  1
  H  H73  1  0.754434  0.550753  0.677325  1
  H  H74  1  0.754434  0.109678  0.700212  1
  H  H75  1  0.754434  0.820684  0.690230  1
  H  H76  1  0.254434  0.573376  0.703852  1
  H  H77  1  0.254434  0.284752  0.691992  1
  H  H78  1  0.254434  0.992584  0.679941  1
