# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27327540
_cell_length_b   24.55072411
_cell_length_c   34.58957783
_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   H96
_cell_volume   1930.46361367
_cell_formula_units_Z   48
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  1.017705  0.347507  0.534988  1
  H  H2  1  1.017705  0.034852  0.497351  1
  H  H3  1  1.017705  0.723660  0.461054  1
  H  H4  1  0.517705  0.263324  0.536520  1
  H  H5  1  0.517705  -0.049619  0.498661  1
  H  H6  1  0.517705  0.638512  0.462133  1
  H  H7  1  1.017705  0.179347  0.538680  1
  H  H8  1  1.017705  0.866122  0.500545  1
  H  H9  1  1.017705  0.554184  0.464079  1
  H  H10  1  0.517705  0.095124  0.540515  1
  H  H11  1  0.517705  0.782543  0.503457  1
  H  H12  1  0.517705  0.469585  0.465968  1
  H  H13  1  0.517705  0.378669  0.478899  1
  H  H14  1  0.517705  0.003827  0.553409  1
  H  H15  1  0.517705  0.690874  0.517083  1
  H  H16  1  1.017705  0.294198  0.480287  1
  H  H17  1  1.017705  0.919709  0.554837  1
  H  H18  1  1.017705  0.606970  0.518196  1
  H  H19  1  0.517705  0.210109  0.482523  1
  H  H20  1  0.517705  0.836006  0.557192  1
  H  H21  1  0.517705  0.523066  0.520222  1
  H  H22  1  1.017705  0.125686  0.484433  1
  H  H23  1  1.017705  0.751595  0.558806  1
  H  H24  1  1.017705  0.438826  0.522048  1
  H  H25  1  1.017705  0.285582  0.646000  1
  H  H26  1  1.017705  -0.027127  0.608764  1
  H  H27  1  1.017705  0.660143  0.572127  1
  H  H28  1  0.517705  0.201449  0.647634  1
  H  H29  1  0.517705  0.888890  0.610476  1
  H  H30  1  0.517705  0.576000  0.573565  1
  H  H31  1  1.017705  0.117438  0.649686  1
  H  H32  1  1.017705  0.804889  0.612615  1
  H  H33  1  1.017705  0.492057  0.575661  1
  H  H34  1  0.517705  0.033208  0.651238  1
  H  H35  1  0.517705  0.720606  0.614240  1
  H  H36  1  0.517705  0.407750  0.577247  1
  H  H37  1  0.517705  0.316472  0.590360  1
  H  H38  1  0.517705  -0.057930  0.664486  1
  H  H39  1  0.517705  0.629244  0.627589  1
  H  H40  1  1.017705  0.232343  0.591971  1
  H  H41  1  1.017705  0.857901  0.666108  1
  H  H42  1  1.017705  0.545045  0.629163  1
  H  H43  1  0.517705  0.148416  0.594135  1
  H  H44  1  0.517705  0.773886  0.668177  1
  H  H45  1  0.517705  0.461018  0.631205  1
  H  H46  1  1.017705  0.064126  0.595711  1
  H  H47  1  1.017705  0.689627  0.669776  1
  H  H48  1  1.017705  0.376782  0.632776  1
  H  H49  1  1.017705  0.223775  0.757185  1
  H  H50  1  1.017705  0.911119  0.720119  1
  H  H51  1  1.017705  0.598274  0.683120  1
  H  H52  1  0.517705  0.139485  0.758761  1
  H  H53  1  0.517705  0.826882  0.721690  1
  H  H54  1  0.517705  0.514014  0.684719  1
  H  H55  1  1.017705  0.055558  0.760924  1
  H  H56  1  1.017705  0.742856  0.723733  1
  H  H57  1  1.017705  0.429999  0.686787  1
  H  H58  1  0.517705  -0.028571  0.762536  1
  H  H59  1  0.517705  0.658656  0.725307  1
  H  H60  1  0.517705  0.345831  0.688410  1
  H  H61  1  0.517705  0.254693  0.701658  1
  H  H62  1  0.517705  0.880151  0.775649  1
  H  H63  1  0.517705  0.567294  0.738655  1
  H  H64  1  1.017705  0.170463  0.703210  1
  H  H65  1  1.017705  0.795844  0.777235  1
  H  H66  1  1.017705  0.483012  0.740280  1
  H  H67  1  0.517705  0.086452  0.705261  1
  H  H68  1  0.517705  0.711900  0.779331  1
  H  H69  1  0.517705  0.399011  0.742419  1
  H  H70  1  1.017705  0.002318  0.706896  1
  H  H71  1  1.017705  0.627758  0.780769  1
  H  H72  1  1.017705  0.315028  0.744132  1
  H  H73  1  1.017705  0.162215  0.868463  1
  H  H74  1  1.017705  0.849075  0.830848  1
  H  H75  1  1.017705  0.536306  0.794090  1
  H  H76  1  0.517705  0.077792  0.870373  1
  H  H77  1  0.517705  0.764835  0.832673  1
  H  H78  1  0.517705  0.451895  0.795704  1
  H  H79  1  1.017705  -0.006297  0.872609  1
  H  H80  1  1.017705  0.680930  0.834699  1
  H  H81  1  1.017705  0.368192  0.798059  1
  H  H82  1  0.517705  0.909232  0.873997  1
  H  H83  1  0.517705  0.597027  0.835812  1
  H  H84  1  0.517705  0.284073  0.799487  1
  H  H85  1  0.517705  0.192777  0.812381  1
  H  H86  1  0.517705  0.818316  0.886928  1
  H  H87  1  0.517705  0.505357  0.849439  1
  H  H88  1  1.017705  0.108554  0.814215  1
  H  H89  1  1.017705  0.733717  0.888817  1
  H  H90  1  1.017705  0.421779  0.852350  1
  H  H91  1  0.517705  0.024576  0.816376  1
  H  H92  1  0.517705  0.649389  0.890763  1
  H  H93  1  0.517705  0.337520  0.854235  1
  H  H94  1  1.017705  -0.059606  0.817908  1
  H  H95  1  1.017705  0.564241  0.891842  1
  H  H96  1  1.017705  0.253049  0.855545  1
