# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44900352
_cell_length_b   9.37931094
_cell_length_c   45.46937354
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H144
_cell_volume   2922.21893456
_cell_formula_units_Z   72
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  0.164627  0.160919  0.308360  1
  H  H2  1  0.664627  0.160919  0.308360  1
  H  H3  1  0.619132  0.569834  0.284610  1
  H  H4  1  0.034060  0.898971  0.282001  1
  H  H5  1  0.119132  0.569834  0.284610  1
  H  H6  1  0.534060  0.898971  0.282001  1
  H  H7  1  0.869132  0.069834  0.284610  1
  H  H8  1  0.369132  0.069834  0.284610  1
  H  H9  1  0.284060  0.398971  0.282001  1
  H  H10  1  0.414627  0.660919  0.308360  1
  H  H11  1  0.784060  0.398971  0.282001  1
  H  H12  1  0.914627  0.660919  0.308360  1
  H  H13  1  0.872842  0.077583  0.336202  1
  H  H14  1  0.372842  0.077583  0.336202  1
  H  H15  1  0.295011  0.421865  0.333190  1
  H  H16  1  0.745184  0.821783  0.310454  1
  H  H17  1  0.795011  0.421865  0.333190  1
  H  H18  1  0.245184  0.821783  0.310454  1
  H  H19  1  0.545011  0.921865  0.333190  1
  H  H20  1  0.045011  0.921865  0.333190  1
  H  H21  1  0.995184  0.321783  0.310454  1
  H  H22  1  0.122842  0.577583  0.336202  1
  H  H23  1  0.495184  0.321783  0.310454  1
  H  H24  1  0.622842  0.577583  0.336202  1
  H  H25  1  0.555142  0.943215  0.383350  1
  H  H26  1  0.055142  0.943215  0.383350  1
  H  H27  1  0.002166  0.336737  0.361326  1
  H  H28  1  0.425343  0.682951  0.358348  1
  H  H29  1  0.502166  0.336737  0.361326  1
  H  H30  1  0.925343  0.682951  0.358348  1
  H  H31  1  0.252166  0.836737  0.361326  1
  H  H32  1  0.752166  0.836737  0.361326  1
  H  H33  1  0.675343  0.182951  0.358348  1
  H  H34  1  0.805142  0.443215  0.383350  1
  H  H35  1  0.175343  0.182951  0.358348  1
  H  H36  1  0.305142  0.443215  0.383350  1
  H  H37  1  0.261929  0.857592  0.412027  1
  H  H38  1  0.761929  0.857592  0.412027  1
  H  H39  1  0.685176  0.203961  0.408612  1
  H  H40  1  0.132024  0.597071  0.386807  1
  H  H41  1  0.185176  0.203961  0.408612  1
  H  H42  1  0.632024  0.597071  0.386807  1
  H  H43  1  0.935176  0.703961  0.408612  1
  H  H44  1  0.435176  0.703961  0.408612  1
  H  H45  1  0.382024  0.097071  0.386807  1
  H  H46  1  0.511929  0.357592  0.412027  1
  H  H47  1  0.882024  0.097071  0.386807  1
  H  H48  1  0.011929  0.357592  0.412027  1
  H  H49  1  0.945378  0.725835  0.458999  1
  H  H50  1  0.445378  0.725835  0.458999  1
  H  H51  1  0.391977  0.118412  0.437398  1
  H  H52  1  0.815224  0.464783  0.433748  1
  H  H53  1  0.891977  0.118412  0.437398  1
  H  H54  1  0.315224  0.464783  0.433748  1
  H  H55  1  0.641977  0.618412  0.437398  1
  H  H56  1  0.141977  0.618412  0.437398  1
  H  H57  1  0.065224  0.964783  0.433748  1
  H  H58  1  0.195378  0.225835  0.458999  1
  H  H59  1  0.565224  0.964783  0.433748  1
  H  H60  1  0.695378  0.225835  0.458999  1
  H  H61  1  0.652180  0.640330  0.487909  1
  H  H62  1  0.152180  0.640330  0.487909  1
  H  H63  1  0.075513  0.986862  0.484206  1
  H  H64  1  0.522051  0.379315  0.462632  1
  H  H65  1  0.575513  0.986862  0.484206  1
  H  H66  1  0.022051  0.379315  0.462632  1
  H  H67  1  0.325513  0.486862  0.484206  1
  H  H68  1  0.825513  0.486862  0.484206  1
  H  H69  1  0.772051  0.879315  0.462632  1
  H  H70  1  0.902180  0.140330  0.487909  1
  H  H71  1  0.272051  0.879315  0.462632  1
  H  H72  1  0.402180  0.140330  0.487909  1
  H  H73  1  0.335795  0.508947  0.534722  1
  H  H74  1  0.835795  0.508947  0.534722  1
  H  H75  1  0.782334  0.901401  0.513148  1
  H  H76  1  0.205666  0.247932  0.509445  1
  H  H77  1  0.282334  0.901401  0.513148  1
  H  H78  1  0.705666  0.247932  0.509445  1
  H  H79  1  0.032334  0.401401  0.513148  1
  H  H80  1  0.532334  0.401401  0.513148  1
  H  H81  1  0.455666  0.747932  0.509445  1
  H  H82  1  0.585795  0.008947  0.534722  1
  H  H83  1  0.955666  0.747932  0.509445  1
  H  H84  1  0.085795  0.008947  0.534722  1
  H  H85  1  0.042622  0.423479  0.563606  1
  H  H86  1  0.542622  0.423479  0.563606  1
  H  H87  1  0.465869  0.769850  0.559956  1
  H  H88  1  0.912468  0.162427  0.538356  1
  H  H89  1  0.965869  0.769850  0.559956  1
  H  H90  1  0.412468  0.162427  0.538356  1
  H  H91  1  0.715869  0.269850  0.559956  1
  H  H92  1  0.215869  0.269850  0.559956  1
  H  H93  1  0.162468  0.662427  0.538356  1
  H  H94  1  0.292622  0.923479  0.563606  1
  H  H95  1  0.662468  0.662427  0.538356  1
  H  H96  1  0.792622  0.923479  0.563606  1
  H  H97  1  0.725822  0.291191  0.610547  1
  H  H98  1  0.225822  0.291191  0.610547  1
  H  H99  1  0.172671  0.684302  0.588742  1
  H  H100  1  0.595917  0.030671  0.585327  1
  H  H101  1  0.672671  0.684302  0.588742  1
  H  H102  1  0.095917  0.030671  0.585327  1
  H  H103  1  0.422671  0.184302  0.588742  1
  H  H104  1  0.922671  0.184302  0.588742  1
  H  H105  1  0.845917  0.530671  0.585327  1
  H  H106  1  0.975822  0.791191  0.610547  1
  H  H107  1  0.345917  0.530671  0.585327  1
  H  H108  1  0.475822  0.791191  0.610547  1
  H  H109  1  0.432503  0.205312  0.639006  1
  H  H110  1  0.932503  0.205312  0.639006  1
  H  H111  1  0.855680  0.551526  0.636028  1
  H  H112  1  0.302704  0.945048  0.614004  1
  H  H113  1  0.355680  0.551526  0.636028  1
  H  H114  1  0.802704  0.945048  0.614004  1
  H  H115  1  0.105680  0.051526  0.636028  1
  H  H116  1  0.605680  0.051526  0.636028  1
  H  H117  1  0.552704  0.445048  0.614004  1
  H  H118  1  0.682503  0.705312  0.639006  1
  H  H119  1  0.052704  0.445048  0.614004  1
  H  H120  1  0.182503  0.705312  0.639006  1
  H  H121  1  0.112662  0.066479  0.686900  1
  H  H122  1  0.612662  0.066479  0.686900  1
  H  H123  1  0.562835  0.466398  0.664164  1
  H  H124  1  0.985005  0.810680  0.661152  1
  H  H125  1  0.062835  0.466398  0.664164  1
  H  H126  1  0.485005  0.810680  0.661152  1
  H  H127  1  0.812835  0.966398  0.664164  1
  H  H128  1  0.312835  0.966398  0.664164  1
  H  H129  1  0.235005  0.310680  0.661152  1
  H  H130  1  0.362662  0.566479  0.686900  1
  H  H131  1  0.735005  0.310680  0.661152  1
  H  H132  1  0.862662  0.566479  0.686900  1
  H  H133  1  0.823787  0.989292  0.715353  1
  H  H134  1  0.323787  0.989292  0.715353  1
  H  H135  1  0.238715  0.318429  0.712744  1
  H  H136  1  0.693220  0.727343  0.688995  1
  H  H137  1  0.738715  0.318429  0.712744  1
  H  H138  1  0.193220  0.727343  0.688995  1
  H  H139  1  0.488715  0.818429  0.712744  1
  H  H140  1  0.988715  0.818429  0.712744  1
  H  H141  1  0.943220  0.227343  0.688995  1
  H  H142  1  0.073787  0.489292  0.715353  1
  H  H143  1  0.443220  0.227343  0.688995  1
  H  H144  1  0.573787  0.489292  0.715353  1
