# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07285652
_cell_length_b   5.98966870
_cell_length_c   44.67265667
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.66077647
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H90
_cell_volume   1888.65387369
_cell_formula_units_Z   45
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  0.239548  0.409763  0.313698  1
  H  H2  1  0.582863  0.456218  0.314291  1
  H  H3  1  0.870657  0.023955  0.332494  1
  H  H4  1  0.052422  0.334735  0.357954  1
  H  H5  1  0.903458  0.381742  0.313755  1
  H  H6  1  0.051106  0.743407  0.310237  1
  H  H7  1  0.548136  0.075118  0.332131  1
  H  H8  1  0.391524  0.772445  0.310620  1
  H  H9  1  0.890201  0.672298  0.353446  1
  H  H10  1  0.389268  0.349955  0.357969  1
  H  H11  1  0.720600  0.340214  0.358614  1
  H  H12  1  0.052879  0.968266  0.376810  1
  H  H13  1  0.219111  0.261044  0.400401  1
  H  H14  1  0.211124  0.053080  0.333163  1
  H  H15  1  0.225073  0.680731  0.353975  1
  H  H16  1  0.722729  0.978662  0.377563  1
  H  H17  1  0.562968  0.697758  0.353556  1
  H  H18  1  0.064860  0.602075  0.397047  1
  H  H19  1  0.551482  0.264050  0.401096  1
  H  H20  1  0.887046  0.263656  0.401297  1
  H  H21  1  0.229092  0.892356  0.420002  1
  H  H22  1  0.390177  0.181775  0.443650  1
  H  H23  1  0.388473  0.977702  0.376398  1
  H  H24  1  0.398540  0.605696  0.396995  1
  H  H25  1  0.896178  0.892365  0.420424  1
  H  H26  1  0.730862  0.605182  0.397174  1
  H  H27  1  0.240683  0.521641  0.440237  1
  H  H28  1  0.724046  0.181890  0.443822  1
  H  H29  1  0.058169  0.181468  0.443667  1
  H  H30  1  0.403094  0.811437  0.463550  1
  H  H31  1  0.564777  0.101307  0.486846  1
  H  H32  1  0.561537  0.893526  0.420341  1
  H  H33  1  0.573833  0.522547  0.440484  1
  H  H34  1  0.070556  0.811425  0.463539  1
  H  H35  1  0.907322  0.522596  0.440472  1
  H  H36  1  0.416277  0.440984  0.483697  1
  H  H37  1  0.898609  0.101284  0.486834  1
  H  H38  1  0.231779  0.101202  0.486819  1
  H  H39  1  0.578362  0.730801  0.506859  1
  H  H40  1  0.740000  0.020638  0.530055  1
  H  H41  1  0.736707  0.811748  0.463593  1
  H  H42  1  0.749903  0.441030  0.483746  1
  H  H43  1  0.245134  0.730734  0.506876  1
  H  H44  1  0.083316  0.440970  0.483673  1
  H  H45  1  0.591870  0.360282  0.526974  1
  H  H46  1  0.073474  0.020589  0.530050  1
  H  H47  1  0.406754  0.020516  0.530087  1
  H  H48  1  0.753544  0.650242  0.550124  1
  H  H49  1  0.915252  0.939720  0.573343  1
  H  H50  1  0.911849  0.730845  0.506852  1
  H  H51  1  0.925360  0.360149  0.526964  1
  H  H52  1  0.420410  0.650228  0.550164  1
  H  H53  1  0.258658  0.360125  0.526990  1
  H  H54  1  0.766922  0.279660  0.570144  1
  H  H55  1  0.248579  0.939578  0.573370  1
  H  H56  1  0.582374  0.939854  0.573446  1
  H  H57  1  0.928394  0.569424  0.593302  1
  H  H58  1  0.089716  0.857615  0.616737  1
  H  H59  1  0.086963  0.650055  0.550133  1
  H  H60  1  0.100331  0.279140  0.570208  1
  H  H61  1  0.595733  0.569755  0.593429  1
  H  H62  1  0.433957  0.279406  0.570223  1
  H  H63  1  0.940442  0.198881  0.613255  1
  H  H64  1  0.423813  0.857784  0.616707  1
  H  H65  1  0.758204  0.858624  0.616948  1
  H  H66  1  0.102797  0.487745  0.636309  1
  H  H67  1  0.263556  0.774336  0.660124  1
  H  H68  1  0.262035  0.569099  0.593349  1
  H  H69  1  0.275262  0.198077  0.613311  1
  H  H70  1  0.771158  0.488818  0.636616  1
  H  H71  1  0.609388  0.199143  0.613412  1
  H  H72  1  0.111403  0.117526  0.655639  1
  H  H73  1  0.599749  0.776995  0.660253  1
  H  H74  1  0.933068  0.775521  0.660899  1
  H  H75  1  0.277673  0.406538  0.679229  1
  H  H76  1  0.437721  0.692425  0.703449  1
  H  H77  1  0.437191  0.488361  0.636470  1
  H  H78  1  0.450210  0.116090  0.655810  1
  H  H79  1  0.948220  0.408534  0.679986  1
  H  H80  1  0.782420  0.117059  0.656756  1
  H  H81  1  0.281631  0.043155  0.697171  1
  H  H82  1  0.769517  0.696191  0.705099  1
  H  H83  1  0.108199  0.697232  0.706259  1
  H  H84  1  0.131308  0.327612  0.724592  1
  H  H85  1  0.459866  0.334389  0.724019  1
  H  H86  1  0.612800  0.404887  0.679481  1
  H  H87  1  0.617796  0.037814  0.700519  1
  H  H88  1  0.793385  0.331625  0.724271  1
  H  H89  1  -0.045888  0.037670  0.700603  1
  H  H90  1  0.384548  0.947179  0.741878  1
