# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63541501
_cell_length_b   8.14468370
_cell_length_c   46.43701059
_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   H144
_cell_volume   2887.82667919
_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  0.827039  0.253995  0.270603  1
  H  H2  1  0.823478  0.675424  0.295338  1
  H  H3  1  0.573144  1.175424  0.295338  1
  H  H4  1  0.569583  0.753995  0.270603  1
  H  H5  1  0.321903  0.294359  0.274072  1
  H  H6  1  0.324113  0.724326  0.299642  1
  H  H7  1  0.072509  0.224326  0.299642  1
  H  H8  1  0.074718  0.794359  0.274072  1
  H  H9  1  0.827597  0.407505  0.310928  1
  H  H10  1  0.816591  0.962556  0.283107  1
  H  H11  1  0.580030  0.462556  0.283107  1
  H  H12  1  0.569025  0.907505  0.310928  1
  H  H13  1  0.327295  0.457846  0.313665  1
  H  H14  1  0.317839  1.002937  0.285627  1
  H  H15  1  0.078783  0.502937  0.285627  1
  H  H16  1  0.069327  0.957846  0.313665  1
  H  H17  1  0.820355  1.131380  0.322630  1
  H  H18  1  0.825400  0.584151  0.348093  1
  H  H19  1  0.571222  1.084151  0.348093  1
  H  H20  1  0.576267  0.631380  0.322630  1
  H  H21  1  0.325163  0.182637  0.325007  1
  H  H22  1  0.323374  0.639610  0.350884  1
  H  H23  1  0.073248  1.139610  0.350884  1
  H  H24  1  0.071459  0.682637  0.325007  1
  H  H25  1  0.824238  0.309828  0.360550  1
  H  H26  1  0.821868  0.853813  0.334355  1
  H  H27  1  0.574753  0.353813  0.334355  1
  H  H28  1  0.572384  0.809828  0.360550  1
  H  H29  1  0.325362  0.364243  0.363356  1
  H  H30  1  0.321069  0.910526  0.337968  1
  H  H31  1  0.075553  0.410526  0.337968  1
  H  H32  1  0.071260  0.864243  0.363356  1
  H  H33  1  0.823503  1.034657  0.372614  1
  H  H34  1  0.823570  0.489186  0.398463  1
  H  H35  1  0.573052  0.989186  0.398463  1
  H  H36  1  0.573119  0.534657  0.372614  1
  H  H37  1  0.323107  1.091816  0.376150  1
  H  H38  1  0.324124  0.545544  0.401440  1
  H  H39  1  0.072498  1.045544  0.401440  1
  H  H40  1  0.073515  0.591816  0.376150  1
  H  H41  1  0.824066  0.214912  0.410891  1
  H  H42  1  0.823468  0.762718  0.385789  1
  H  H43  1  0.573154  0.262718  0.385789  1
  H  H44  1  0.572556  0.714912  0.410891  1
  H  H45  1  0.323982  0.272548  0.414265  1
  H  H46  1  0.322777  0.819500  0.388893  1
  H  H47  1  0.073845  0.319500  0.388893  1
  H  H48  1  0.072640  0.772548  0.414265  1
  H  H49  1  0.823799  0.942301  0.423753  1
  H  H50  1  0.823700  0.395283  0.449046  1
  H  H51  1  0.572922  0.895283  0.449046  1
  H  H52  1  0.572822  0.442301  0.423753  1
  H  H53  1  0.323463  0.999677  0.426967  1
  H  H54  1  0.323690  0.453080  0.452338  1
  H  H55  1  0.072932  0.953080  0.452338  1
  H  H56  1  0.073158  0.499677  0.426967  1
  H  H57  1  0.823901  1.122322  0.461802  1
  H  H58  1  0.823390  0.668998  0.436470  1
  H  H59  1  0.573232  1.168998  0.436470  1
  H  H60  1  0.572721  0.622322  0.461802  1
  H  H61  1  0.323709  0.179967  0.465051  1
  H  H62  1  0.323613  0.726155  0.439583  1
  H  H63  1  0.073009  0.226155  0.439583  1
  H  H64  1  0.072912  0.679967  0.465051  1
  H  H65  1  0.823692  0.849155  0.474518  1
  H  H66  1  0.823674  0.302544  0.499870  1
  H  H67  1  0.572947  0.802544  0.499870  1
  H  H68  1  0.572930  0.349155  0.474518  1
  H  H69  1  0.323763  0.906555  0.477690  1
  H  H70  1  0.323576  0.360332  0.503136  1
  H  H71  1  0.073046  0.860332  0.503136  1
  H  H72  1  0.072859  0.406555  0.477690  1
  H  H73  1  0.823763  1.029432  0.512596  1
  H  H74  1  0.823576  0.575655  0.487150  1
  H  H75  1  0.573046  1.075655  0.487150  1
  H  H76  1  0.572859  0.529432  0.512596  1
  H  H77  1  0.323692  1.086832  0.515768  1
  H  H78  1  0.323674  0.633443  0.490416  1
  H  H79  1  0.072947  1.133443  0.490416  1
  H  H80  1  0.072930  0.586832  0.515768  1
  H  H81  1  0.823709  0.756020  0.525234  1
  H  H82  1  0.823613  0.209832  0.550702  1
  H  H83  1  0.573009  0.709832  0.550702  1
  H  H84  1  0.572912  0.256020  0.525234  1
  H  H85  1  0.323901  0.813665  0.528483  1
  H  H86  1  0.323390  0.266989  0.553815  1
  H  H87  1  0.073232  0.766989  0.553815  1
  H  H88  1  0.072721  0.313665  0.528483  1
  H  H89  1  0.823463  0.936310  0.563318  1
  H  H90  1  0.823690  0.482907  0.537947  1
  H  H91  1  0.572932  0.982907  0.537947  1
  H  H92  1  0.573158  0.436310  0.563318  1
  H  H93  1  0.323799  0.993686  0.566532  1
  H  H94  1  0.323700  0.540704  0.541239  1
  H  H95  1  0.072922  1.040704  0.541239  1
  H  H96  1  0.072822  0.493686  0.566532  1
  H  H97  1  0.823982  0.663438  0.576020  1
  H  H98  1  0.822777  1.116487  0.601392  1
  H  H99  1  0.573845  0.616487  0.601392  1
  H  H100  1  0.572640  1.163438  0.576020  1
  H  H101  1  0.324066  0.721075  0.579394  1
  H  H102  1  0.323468  1.173269  0.604496  1
  H  H103  1  0.073154  0.673269  0.604496  1
  H  H104  1  0.072556  0.221075  0.579394  1
  H  H105  1  0.823107  0.844171  0.614135  1
  H  H106  1  0.824124  0.390443  0.588846  1
  H  H107  1  0.572498  0.890443  0.588846  1
  H  H108  1  0.573515  0.344171  0.614135  1
  H  H109  1  0.323503  0.901330  0.617671  1
  H  H110  1  0.323570  0.446801  0.591822  1
  H  H111  1  0.073052  0.946801  0.591822  1
  H  H112  1  0.073119  0.401330  0.617671  1
  H  H113  1  0.825362  0.571744  0.626930  1
  H  H114  1  0.821069  1.025461  0.652317  1
  H  H115  1  0.575553  0.525461  0.652317  1
  H  H116  1  0.571260  1.071744  0.626930  1
  H  H117  1  0.324238  0.626159  0.629735  1
  H  H118  1  0.321868  1.082174  0.655931  1
  H  H119  1  0.074753  0.582174  0.655931  1
  H  H120  1  0.072384  1.126159  0.629735  1
  H  H121  1  0.825163  0.753350  0.665279  1
  H  H122  1  0.823374  0.296377  0.639401  1
  H  H123  1  0.573248  0.796377  0.639401  1
  H  H124  1  0.571459  0.253350  0.665279  1
  H  H125  1  0.320355  0.804606  0.667656  1
  H  H126  1  0.325400  0.351836  0.642192  1
  H  H127  1  0.071222  0.851836  0.642192  1
  H  H128  1  0.076267  0.304606  0.667656  1
  H  H129  1  0.827295  0.478140  0.676620  1
  H  H130  1  0.817839  0.933049  0.704659  1
  H  H131  1  0.578783  0.433049  0.704659  1
  H  H132  1  0.569327  0.978140  0.676620  1
  H  H133  1  0.327597  0.528482  0.679357  1
  H  H134  1  0.316591  0.973431  0.707178  1
  H  H135  1  0.080030  0.473431  0.707178  1
  H  H136  1  0.069025  1.028482  0.679357  1
  H  H137  1  0.821903  0.641628  0.716213  1
  H  H138  1  0.824113  0.211661  0.690644  1
  H  H139  1  0.572509  0.711661  0.690644  1
  H  H140  1  0.574718  1.141628  0.716213  1
  H  H141  1  0.327039  0.681992  0.719682  1
  H  H142  1  0.323478  0.260563  0.694947  1
  H  H143  1  0.073144  0.760563  0.694947  1
  H  H144  1  0.069583  0.181992  0.719682  1
