# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.29977777
_cell_length_b   8.08017921
_cell_length_c   46.31151364
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   129.59437564
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H112
_cell_volume   2969.9777451
_cell_formula_units_Z   56
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  0.773046  0.046092  0.305896  1
  H  H2  1  0.273046  0.046092  0.305896  1
  H  H3  1  0.352020  0.704040  0.337146  1
  H  H4  1  0.852020  0.704040  0.337146  1
  H  H5  1  0.806427  0.112854  0.319104  1
  H  H6  1  0.306427  0.112854  0.319104  1
  H  H7  1  0.227453  0.454907  0.287854  1
  H  H8  1  0.727453  0.454907  0.287854  1
  H  H9  1  0.523046  0.546092  0.305896  1
  H  H10  1  0.023046  0.546092  0.305896  1
  H  H11  1  0.102020  0.204040  0.337146  1
  H  H12  1  0.602020  0.204040  0.337146  1
  H  H13  1  0.556427  0.612854  0.319104  1
  H  H14  1  0.056427  0.612854  0.319104  1
  H  H15  1  0.977453  0.954907  0.287854  1
  H  H16  1  0.477453  0.954907  0.287854  1
  H  H17  1  0.930993  0.361987  0.368396  1
  H  H18  1  0.430993  0.361987  0.368396  1
  H  H19  1  0.509967  0.019934  0.399646  1
  H  H20  1  0.009967  0.019934  0.399646  1
  H  H21  1  0.964374  0.428749  0.381604  1
  H  H22  1  0.464374  0.428749  0.381604  1
  H  H23  1  0.385401  0.770801  0.350354  1
  H  H24  1  0.885401  0.770801  0.350354  1
  H  H25  1  0.680993  0.861987  0.368396  1
  H  H26  1  0.180993  0.861987  0.368396  1
  H  H27  1  0.259967  0.519934  0.399646  1
  H  H28  1  0.759967  0.519934  0.399646  1
  H  H29  1  0.714374  0.928749  0.381604  1
  H  H30  1  0.214374  0.928749  0.381604  1
  H  H31  1  0.135401  0.270801  0.350354  1
  H  H32  1  0.635401  0.270801  0.350354  1
  H  H33  1  0.088941  0.677882  0.430896  1
  H  H34  1  0.588941  0.677882  0.430896  1
  H  H35  1  0.667914  0.335829  0.462146  1
  H  H36  1  0.167914  0.335829  0.462146  1
  H  H37  1  0.122322  0.744643  0.444104  1
  H  H38  1  0.622322  0.744643  0.444104  1
  H  H39  1  0.543348  0.086696  0.412854  1
  H  H40  1  0.043348  0.086696  0.412854  1
  H  H41  1  0.838941  0.177882  0.430896  1
  H  H42  1  0.338941  0.177882  0.430896  1
  H  H43  1  0.417914  0.835829  0.462146  1
  H  H44  1  0.917914  0.835829  0.462146  1
  H  H45  1  0.872322  0.244643  0.444104  1
  H  H46  1  0.372322  0.244643  0.444104  1
  H  H47  1  0.293348  0.586696  0.412854  1
  H  H48  1  0.793348  0.586696  0.412854  1
  H  H49  1  0.246888  0.993776  0.493396  1
  H  H50  1  0.746888  0.993776  0.493396  1
  H  H51  1  0.825862  0.651724  0.524646  1
  H  H52  1  0.325862  0.651724  0.524646  1
  H  H53  1  0.280269  0.060538  0.506604  1
  H  H54  1  0.780269  0.060538  0.506604  1
  H  H55  1  0.701295  0.402591  0.475354  1
  H  H56  1  0.201295  0.402591  0.475354  1
  H  H57  1  0.996888  0.493776  0.493396  1
  H  H58  1  0.496888  0.493776  0.493396  1
  H  H59  1  0.575862  0.151724  0.524646  1
  H  H60  1  0.075862  0.151724  0.524646  1
  H  H61  1  0.030269  0.560538  0.506604  1
  H  H62  1  0.530269  0.560538  0.506604  1
  H  H63  1  0.451295  0.902591  0.475354  1
  H  H64  1  0.951295  0.902591  0.475354  1
  H  H65  1  0.404835  0.309671  0.555896  1
  H  H66  1  0.904835  0.309671  0.555896  1
  H  H67  1  0.983809  0.967618  0.587146  1
  H  H68  1  0.483809  0.967618  0.587146  1
  H  H69  1  0.438216  0.376433  0.569104  1
  H  H70  1  0.938216  0.376433  0.569104  1
  H  H71  1  0.859243  0.718485  0.537854  1
  H  H72  1  0.359243  0.718485  0.537854  1
  H  H73  1  0.154835  0.809671  0.555896  1
  H  H74  1  0.654835  0.809671  0.555896  1
  H  H75  1  0.733809  0.467618  0.587146  1
  H  H76  1  0.233809  0.467618  0.587146  1
  H  H77  1  0.188216  0.876433  0.569104  1
  H  H78  1  0.688216  0.876433  0.569104  1
  H  H79  1  0.609243  0.218485  0.537854  1
  H  H80  1  0.109243  0.218485  0.537854  1
  H  H81  1  0.562783  0.625566  0.618396  1
  H  H82  1  0.062783  0.625566  0.618396  1
  H  H83  1  0.141756  0.283513  0.649646  1
  H  H84  1  0.641756  0.283513  0.649646  1
  H  H85  1  0.596164  0.692327  0.631604  1
  H  H86  1  0.096164  0.692327  0.631604  1
  H  H87  1  0.017190  0.034380  0.600354  1
  H  H88  1  0.517190  0.034380  0.600354  1
  H  H89  1  0.312783  0.125566  0.618396  1
  H  H90  1  0.812783  0.125566  0.618396  1
  H  H91  1  0.891756  0.783513  0.649646  1
  H  H92  1  0.391756  0.783513  0.649646  1
  H  H93  1  0.346164  0.192327  0.631604  1
  H  H94  1  0.846164  0.192327  0.631604  1
  H  H95  1  0.767190  0.534380  0.600354  1
  H  H96  1  0.267190  0.534380  0.600354  1
  H  H97  1  0.720730  0.941460  0.680896  1
  H  H98  1  0.220730  0.941460  0.680896  1
  H  H99  1  0.299704  0.599408  0.712146  1
  H  H100  1  0.799704  0.599408  0.712146  1
  H  H101  1  0.754111  0.008222  0.694104  1
  H  H102  1  0.254111  0.008222  0.694104  1
  H  H103  1  0.175137  0.350275  0.662854  1
  H  H104  1  0.675137  0.350275  0.662854  1
  H  H105  1  0.470730  0.441460  0.680896  1
  H  H106  1  0.970730  0.441460  0.680896  1
  H  H107  1  0.049704  0.099408  0.712146  1
  H  H108  1  0.549704  0.099408  0.712146  1
  H  H109  1  0.504111  0.508222  0.694104  1
  H  H110  1  0.004111  0.508222  0.694104  1
  H  H111  1  0.925137  0.850275  0.662854  1
  H  H112  1  0.425137  0.850275  0.662854  1
