# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14967488
_cell_length_b   6.14785589
_cell_length_c   54.07683003
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H99
_cell_volume   2034.25155939
_cell_formula_units_Z   49
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  0.913859  0.182693  0.233356  1
  H  H2  1  0.235643  0.899590  0.233619  1
  H  H3  1  0.280558  0.269041  0.221103  1
  H  H4  1  0.570764  0.624883  0.234886  1
  H  H5  1  0.603605  0.991403  0.222516  1
  H  H6  1  0.553748  0.280079  0.250650  1
  H  H7  1  0.948276  0.549410  0.220201  1
  H  H8  1  0.881079  0.827186  0.248495  1
  H  H9  1  0.220179  0.551379  0.249573  1
  H  H10  1  0.829505  0.114093  0.275545  1
  H  H11  1  0.159866  0.846624  0.276284  1
  H  H12  1  0.189869  0.195916  0.262436  1
  H  H13  1  0.494286  0.579549  0.277559  1
  H  H14  1  0.515308  0.927353  0.263658  1
  H  H15  1  0.460013  0.230972  0.291213  1
  H  H16  1  0.859673  0.469259  0.261857  1
  H  H17  1  0.798977  0.760605  0.289308  1
  H  H18  1  0.131298  0.495182  0.290161  1
  H  H19  1  0.739338  1.054905  0.316415  1
  H  H20  1  0.070547  0.794873  0.317278  1
  H  H21  1  0.100707  0.145339  0.303592  1
  H  H22  1  0.401028  0.533317  0.318360  1
  H  H23  1  0.430127  0.882638  0.304726  1
  H  H24  1  0.370168  0.183069  0.332103  1
  H  H25  1  0.770435  0.406424  0.302805  1
  H  H26  1  0.709649  0.702751  0.330035  1
  H  H27  1  1.040528  0.443844  0.331005  1
  H  H28  1  0.649673  0.999925  0.357260  1
  H  H29  1  0.980283  0.741561  0.358259  1
  H  H30  1  1.010248  0.092678  0.344589  1
  H  H31  1  0.310589  0.481960  0.359342  1
  H  H32  1  0.340387  0.832539  0.345692  1
  H  H33  1  0.280214  0.131041  0.373013  1
  H  H34  1  0.679693  0.351318  0.343647  1
  H  H35  1  0.619834  0.648747  0.370902  1
  H  H36  1  0.950193  0.390298  0.371922  1
  H  H37  1  0.559718  0.946460  0.398160  1
  H  H38  1  0.890072  0.688013  0.399206  1
  H  H39  1  0.920067  1.039134  0.385555  1
  H  H40  1  0.220249  0.429214  0.400275  1
  H  H41  1  0.250289  0.780153  0.386632  1
  H  H42  1  0.190113  0.078172  0.413926  1
  H  H43  1  0.589752  0.297544  0.384526  1
  H  H44  1  0.529702  0.595374  0.411798  1
  H  H45  1  0.859959  0.336877  0.412852  1
  H  H46  1  0.469578  0.893224  0.439074  1
  H  H47  1  0.799813  0.634656  0.440137  1
  H  H48  1  0.829878  0.985764  0.426493  1
  H  H49  1  0.099990  1.025011  0.454842  1
  H  H50  1  0.130048  0.376087  0.441200  1
  H  H51  1  0.160107  0.727135  0.427559  1
  H  H52  1  0.499636  0.244300  0.425433  1
  H  H53  1  0.439519  0.542176  0.452716  1
  H  H54  1  0.769748  0.283548  0.453781  1
  H  H55  1  0.349337  0.489159  0.493642  1
  H  H56  1  0.679559  0.230177  0.494719  1
  H  H57  1  0.709554  0.581298  0.481068  1
  H  H58  1  1.009874  0.971767  0.495748  1
  H  H59  1  1.039908  0.322851  0.482114  1
  H  H60  1  0.069924  0.673937  0.468477  1
  H  H61  1  0.379377  0.840097  0.479999  1
  H  H62  1  0.409513  0.191139  0.466349  1
  H  H63  1  0.739667  0.932434  0.467423  1
  H  H64  1  0.259239  0.436772  0.534582  1
  H  H65  1  0.589378  0.176633  0.535685  1
  H  H66  1  0.619343  0.527750  0.522016  1
  H  H67  1  0.919933  0.917994  0.536627  1
  H  H68  1  0.949953  0.269386  0.523014  1
  H  H69  1  0.979792  0.620565  0.509372  1
  H  H70  1  0.289037  0.787351  0.520932  1
  H  H71  1  0.319412  0.138270  0.507261  1
  H  H72  1  0.649434  0.879013  0.508352  1
  H  H73  1  0.169499  0.386673  0.575549  1
  H  H74  1  0.498919  0.123972  0.576682  1
  H  H75  1  0.529079  0.474438  0.562997  1
  H  H76  1  0.829192  0.862887  0.577470  1
  H  H77  1  0.860288  0.214406  0.563860  1
  H  H78  1  0.889977  0.566560  0.550239  1
  H  H79  1  0.198598  0.735994  0.561915  1
  H  H80  1  0.229458  0.086242  0.548171  1
  H  H81  1  0.559098  0.825467  0.549269  1
  H  H82  1  0.084318  0.341959  0.616617  1
  H  H83  1  0.409757  0.073396  0.617839  1
  H  H84  1  0.439760  0.422688  0.603991  1
  H  H85  1  0.739954  0.800053  0.618418  1
  H  H86  1  0.770121  0.155218  0.604730  1
  H  H87  1  0.800649  0.508706  0.590966  1
  H  H88  1  0.105340  0.689762  0.602715  1
  H  H89  1  0.139613  1.038339  0.589062  1
  H  H90  1  0.468328  0.774129  0.590114  1
  H  H91  1  0.996021  0.277909  0.657758  1
  H  H92  1  0.319068  1.000271  0.659172  1
  H  H93  1  0.363983  0.369721  0.646656  1
  H  H94  1  0.651350  0.719901  0.660073  1
  H  H95  1  0.685767  0.086618  0.646918  1
  H  H96  1  0.718547  0.442126  0.631780  1
  H  H97  1  1.028862  0.644428  0.645389  1
  H  H98  1  1.045878  0.989232  0.629624  1
  H  H99  1  0.379447  0.717932  0.630701  1
