# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.26875366
_cell_length_b   26.31734526
_cell_length_c   40.35757039
_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   H120
_cell_volume   2409.65259306
_cell_formula_units_Z   60
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  1.018737  0.778600  0.488166  1
  H  H2  1  1.018737  0.486412  0.433910  1
  H  H3  1  1.018737  0.142401  0.456194  1
  H  H4  1  0.518737  0.700293  0.483686  1
  H  H5  1  0.518737  0.346711  0.510104  1
  H  H6  1  0.518737  0.062940  0.449953  1
  H  H7  1  1.018737  0.622741  0.479549  1
  H  H8  1  1.018737  0.268872  0.504271  1
  H  H9  1  1.018737  -0.016418  0.444701  1
  H  H10  1  0.518737  0.547933  0.469388  1
  H  H11  1  0.518737  0.190061  0.498207  1
  H  H12  1  0.518737  0.903747  0.439519  1
  H  H13  1  0.518737  0.815805  0.442888  1
  H  H14  1  0.518737  0.460789  0.480072  1
  H  H15  1  0.518737  0.102545  0.500821  1
  H  H16  1  1.018737  0.734832  0.438137  1
  H  H17  1  1.018737  0.388292  0.464748  1
  H  H18  1  1.018737  0.023587  0.494843  1
  H  H19  1  0.518737  0.653914  0.434361  1
  H  H20  1  0.518737  0.309147  0.459554  1
  H  H21  1  0.518737  -0.055249  0.489692  1
  H  H22  1  1.018737  0.511668  0.516019  1
  H  H23  1  1.018737  0.229719  0.453630  1
  H  H24  1  1.018737  0.865659  0.484402  1
  H  H25  1  1.018737  0.703689  0.578370  1
  H  H26  1  1.018737  0.421293  0.520703  1
  H  H27  1  1.018737  0.063273  0.544946  1
  H  H28  1  0.518737  0.625802  0.572866  1
  H  H29  1  0.518737  0.267835  0.598638  1
  H  H30  1  0.518737  -0.015343  0.539217  1
  H  H31  1  1.018737  0.548399  0.567164  1
  H  H32  1  1.018737  0.189793  0.592566  1
  H  H33  1  1.018737  0.906266  0.534202  1
  H  H34  1  0.518737  0.471453  0.559443  1
  H  H35  1  0.518737  0.111382  0.586162  1
  H  H36  1  0.518737  0.827841  0.528903  1
  H  H37  1  0.518737  0.741517  0.533171  1
  H  H38  1  0.518737  0.383283  0.563044  1
  H  H39  1  0.518737  0.024290  0.589442  1
  H  H40  1  1.018737  0.663940  0.528538  1
  H  H41  1  1.018737  0.307249  0.554328  1
  H  H42  1  1.018737  -0.054036  0.583947  1
  H  H43  1  0.518737  0.586611  0.523038  1
  H  H44  1  0.518737  0.229303  0.548392  1
  H  H45  1  0.518737  0.867890  0.579038  1
  H  H46  1  1.018737  0.432001  0.603469  1
  H  H47  1  1.018737  0.150618  0.542033  1
  H  H48  1  1.018737  0.789901  0.573918  1
  H  H49  1  1.018737  0.625964  0.667504  1
  H  H50  1  1.018737  0.344686  0.606395  1
  H  H51  1  1.018737  -0.014607  0.634100  1
  H  H52  1  0.518737  0.547717  0.661236  1
  H  H53  1  0.518737  0.189021  0.686941  1
  H  H54  1  0.518737  0.907303  0.628824  1
  H  H55  1  1.018737  0.469829  0.655043  1
  H  H56  1  1.018737  0.111205  0.680733  1
  H  H57  1  1.018737  0.829450  0.624057  1
  H  H58  1  0.518737  0.392643  0.647609  1
  H  H59  1  0.518737  0.033214  0.674866  1
  H  H60  1  0.518737  0.751549  0.618985  1
  H  H61  1  0.518737  0.664977  0.623048  1
  H  H62  1  0.518737  0.305548  0.650305  1
  H  H63  1  0.518737  -0.053357  0.678930  1
  H  H64  1  1.018737  0.586987  0.617182  1
  H  H65  1  1.018737  0.228362  0.642871  1
  H  H66  1  1.018737  0.868741  0.673857  1
  H  H67  1  0.518737  0.509170  0.610974  1
  H  H68  1  0.518737  0.150475  0.636678  1
  H  H69  1  0.518737  0.790888  0.669090  1
  H  H70  1  1.018737  0.353506  0.691519  1
  H  H71  1  1.018737  0.072228  0.630410  1
  H  H72  1  1.018737  0.712798  0.663814  1
  H  H73  1  1.018737  0.547573  0.755881  1
  H  H74  1  1.018737  0.266191  0.694446  1
  H  H75  1  1.018737  0.908290  0.723997  1
  H  H76  1  0.518737  0.468889  0.749522  1
  H  H77  1  0.518737  0.111581  0.774876  1
  H  H78  1  0.518737  0.830301  0.718876  1
  H  H79  1  1.018737  0.390943  0.743587  1
  H  H80  1  1.018737  0.034252  0.769377  1
  H  H81  1  1.018737  0.752228  0.713967  1
  H  H82  1  0.518737  0.314909  0.734870  1
  H  H83  1  0.518737  -0.043325  0.764743  1
  H  H84  1  0.518737  0.673902  0.708473  1
  H  H85  1  0.518737  0.586810  0.711752  1
  H  H86  1  0.518737  0.226738  0.738471  1
  H  H87  1  0.518737  0.870351  0.769011  1
  H  H88  1  1.018737  0.508399  0.705348  1
  H  H89  1  1.018737  0.149793  0.730751  1
  H  H90  1  1.018737  0.791925  0.763713  1
  H  H91  1  0.518737  0.430357  0.699276  1
  H  H92  1  0.518737  0.072390  0.725048  1
  H  H93  1  0.518737  0.713534  0.758697  1
  H  H94  1  1.018737  0.276898  0.777211  1
  H  H95  1  1.018737  -0.005498  0.719544  1
  H  H96  1  1.018737  0.634919  0.752968  1
  H  H97  1  1.018737  0.468473  0.844285  1
  H  H98  1  1.018737  0.186523  0.781895  1
  H  H99  1  1.018737  0.832533  0.813512  1
  H  H100  1  0.518737  0.389045  0.838360  1
  H  H101  1  0.518737  0.044278  0.863553  1
  H  H102  1  0.518737  0.753441  0.808222  1
  H  H103  1  1.018737  0.309899  0.833166  1
  H  H104  1  1.018737  -0.036641  0.859777  1
  H  H105  1  1.018737  0.674605  0.803072  1
  H  H106  1  0.518737  0.237402  0.817843  1
  H  H107  1  0.518737  0.882387  0.855027  1
  H  H108  1  0.518737  0.595646  0.797093  1
  H  H109  1  0.518737  0.508131  0.799708  1
  H  H110  1  0.518737  0.150259  0.828527  1
  H  H111  1  0.518737  0.794445  0.858395  1
  H  H112  1  1.018737  0.429320  0.793643  1
  H  H113  1  1.018737  0.075451  0.818365  1
  H  H114  1  1.018737  0.714610  0.853213  1
  H  H115  1  0.518737  0.351481  0.787810  1
  H  H116  1  0.518737  -0.002102  0.814228  1
  H  H117  1  0.518737  0.635252  0.847961  1
  H  H118  1  1.018737  0.211780  0.864004  1
  H  H119  1  1.018737  0.919592  0.809748  1
  H  H120  1  1.018737  0.555790  0.841720  1
