# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82434829
_cell_length_b   8.21059293
_cell_length_c   49.94385309
_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   1568.24533084
_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  0.754382  0.862665  0.261517  1
  H  H2  1  0.754382  0.442987  0.285408  1
  H  H3  1  0.754382  0.151092  0.273384  1
  H  H4  1  0.254382  0.885240  0.288029  1
  H  H5  1  0.254382  0.615188  0.275132  1
  H  H6  1  0.254382  0.326148  0.265125  1
  H  H7  1  0.754382  0.710424  0.299184  1
  H  H8  1  0.754382  0.253530  0.320521  1
  H  H9  1  0.754382  0.981225  0.310027  1
  H  H10  1  0.254382  0.683925  0.323025  1
  H  H11  1  0.254382  0.418208  0.311220  1
  H  H12  1  0.254382  0.147526  0.300664  1
  H  H13  1  0.754382  0.520136  0.332771  1
  H  H14  1  0.754382  0.059100  0.355520  1
  H  H15  1  0.754382  0.789682  0.344512  1
  H  H16  1  0.254382  0.485692  0.357376  1
  H  H17  1  0.254382  0.218453  0.345863  1
  H  H18  1  0.254382  0.949599  0.334616  1
  H  H19  1  0.754382  0.326142  0.367030  1
  H  H20  1  0.754382  0.862441  0.390130  1
  H  H21  1  0.754382  0.593986  0.378690  1
  H  H22  1  0.254382  0.288429  0.391659  1
  H  H23  1  0.254382  0.020575  0.380181  1
  H  H24  1  0.254382  0.752670  0.368882  1
  H  H25  1  0.754382  0.130111  0.401522  1
  H  H26  1  0.754382  0.665773  0.424526  1
  H  H27  1  0.754382  0.397780  0.413024  1
  H  H28  1  0.254382  0.091928  0.426056  1
  H  H29  1  0.254382  0.824060  0.414630  1
  H  H30  1  0.254382  0.556162  0.403196  1
  H  H31  1  0.754382  0.933677  0.435989  1
  H  H32  1  0.754382  0.469292  0.458918  1
  H  H33  1  0.754382  0.201454  0.447443  1
  H  H34  1  0.254382  0.895478  0.460483  1
  H  H35  1  0.254382  0.627601  0.449024  1
  H  H36  1  0.254382  0.359740  0.437543  1
  H  H37  1  0.754382  0.737174  0.470394  1
  H  H38  1  0.754382  0.272864  0.493334  1
  H  H39  1  0.754382  1.005034  0.481864  1
  H  H40  1  0.254382  0.699007  0.494886  1
  H  H41  1  0.254382  0.431147  0.483416  1
  H  H42  1  0.254382  0.163317  0.471946  1
  H  H43  1  0.754382  0.540703  0.504797  1
  H  H44  1  0.754382  0.076441  0.527737  1
  H  H45  1  0.754382  0.808580  0.516255  1
  H  H46  1  0.254382  0.502504  0.529290  1
  H  H47  1  0.254382  0.234727  0.517836  1
  H  H48  1  0.254382  0.966889  0.506361  1
  H  H49  1  0.754382  0.344253  0.539224  1
  H  H50  1  0.754382  0.880019  0.562083  1
  H  H51  1  0.754382  0.612121  0.550650  1
  H  H52  1  0.254382  0.306070  0.563758  1
  H  H53  1  0.254382  0.038401  0.552256  1
  H  H54  1  0.254382  0.770408  0.540754  1
  H  H55  1  0.754382  0.147752  0.573620  1
  H  H56  1  0.754382  0.683511  0.596397  1
  H  H57  1  0.754382  0.415606  0.585098  1
  H  H58  1  0.254382  0.110039  0.598249  1
  H  H59  1  0.254382  0.842195  0.586590  1
  H  H60  1  0.254382  0.573740  0.575149  1
  H  H61  1  0.754382  0.950489  0.607904  1
  H  H62  1  0.754382  0.486582  0.630663  1
  H  H63  1  0.754382  0.217728  0.619417  1
  H  H64  1  0.254382  0.916045  0.632508  1
  H  H65  1  0.254382  0.646499  0.620768  1
  H  H66  1  0.254382  0.377081  0.609759  1
  H  H67  1  0.754382  0.752256  0.642255  1
  H  H68  1  0.754382  0.288655  0.664616  1
  H  H69  1  0.754382  0.017973  0.654059  1
  H  H70  1  0.254382  0.725757  0.666095  1
  H  H71  1  0.254382  0.454956  0.655253  1
  H  H72  1  0.254382  0.182651  0.644758  1
  H  H73  1  0.754382  0.550941  0.677250  1
  H  H74  1  0.754382  0.110033  0.700155  1
  H  H75  1  0.754382  0.820993  0.690148  1
  H  H76  1  0.254382  0.573516  0.703762  1
  H  H77  1  0.254382  0.285089  0.691896  1
  H  H78  1  0.254382  0.993194  0.679871  1
