# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   28.18720226
_cell_length_b   13.77078380
_cell_length_c   49.38856595
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.18873889
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H504
_cell_volume   18764.7622863
_cell_formula_units_Z   252
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  0.767194  0.828055  0.328636  1
  H  H2  1  0.267194  0.828055  0.328636  1
  H  H3  1  0.454076  0.959244  0.284192  1
  H  H4  1  0.600528  0.494722  0.328636  1
  H  H5  1  0.610635  0.893649  0.306414  1
  H  H6  1  0.787409  0.625910  0.284192  1
  H  H7  1  0.954076  0.959244  0.284192  1
  H  H8  1  0.100528  0.494722  0.328636  1
  H  H9  1  0.110635  0.893649  0.306414  1
  H  H10  1  0.287409  0.625910  0.284192  1
  H  H11  1  0.433861  0.161388  0.328636  1
  H  H12  1  0.443968  0.560316  0.306414  1
  H  H13  1  0.620742  0.292577  0.284192  1
  H  H14  1  0.777302  0.226983  0.306414  1
  H  H15  1  0.933861  0.161388  0.328636  1
  H  H16  1  0.943968  0.560316  0.306414  1
  H  H17  1  0.120742  0.292577  0.284192  1
  H  H18  1  0.277302  0.226983  0.306414  1
  H  H19  1  0.709910  0.900900  0.271364  1
  H  H20  1  0.209910  0.900900  0.271364  1
  H  H21  1  0.366469  0.835306  0.293586  1
  H  H22  1  0.543243  0.567567  0.271364  1
  H  H23  1  0.523029  0.769711  0.315808  1
  H  H24  1  0.699803  0.501972  0.293586  1
  H  H25  1  0.866469  0.835306  0.293586  1
  H  H26  1  0.043243  0.567567  0.271364  1
  H  H27  1  0.023029  0.769711  0.315808  1
  H  H28  1  0.199803  0.501972  0.293586  1
  H  H29  1  0.376577  0.234233  0.271364  1
  H  H30  1  0.356362  0.436378  0.315808  1
  H  H31  1  0.533136  0.168639  0.293586  1
  H  H32  1  0.689696  0.103045  0.315808  1
  H  H33  1  0.876577  0.234233  0.271364  1
  H  H34  1  0.856362  0.436378  0.315808  1
  H  H35  1  0.033136  0.168639  0.293586  1
  H  H36  1  0.189696  0.103045  0.315808  1
  H  H37  1  0.693968  0.060316  0.306414  1
  H  H38  1  0.193968  0.060316  0.306414  1
  H  H39  1  0.350528  0.994722  0.328636  1
  H  H40  1  0.527302  0.726983  0.306414  1
  H  H41  1  0.537409  0.125910  0.284192  1
  H  H42  1  0.683861  0.661388  0.328636  1
  H  H43  1  0.850528  0.994722  0.328636  1
  H  H44  1  0.027302  0.726983  0.306414  1
  H  H45  1  0.037409  0.125910  0.284192  1
  H  H46  1  0.183861  0.661388  0.328636  1
  H  H47  1  0.360635  0.393649  0.306414  1
  H  H48  1  0.370742  0.792577  0.284192  1
  H  H49  1  0.517194  0.328055  0.328636  1
  H  H50  1  0.704076  0.459244  0.284192  1
  H  H51  1  0.860635  0.393649  0.306414  1
  H  H52  1  0.870742  0.792577  0.284192  1
  H  H53  1  0.017194  0.328055  0.328636  1
  H  H54  1  0.204076  0.459244  0.284192  1
  H  H55  1  0.793243  0.067567  0.271364  1
  H  H56  1  0.293243  0.067567  0.271364  1
  H  H57  1  0.449803  0.001972  0.293586  1
  H  H58  1  0.626577  0.734233  0.271364  1
  H  H59  1  0.606362  0.936378  0.315808  1
  H  H60  1  0.783136  0.668639  0.293586  1
  H  H61  1  0.949803  0.001972  0.293586  1
  H  H62  1  0.126577  0.734233  0.271364  1
  H  H63  1  0.106362  0.936378  0.315808  1
  H  H64  1  0.283136  0.668639  0.293586  1
  H  H65  1  0.459910  0.400900  0.271364  1
  H  H66  1  0.439696  0.603045  0.315808  1
  H  H67  1  0.616469  0.335306  0.293586  1
  H  H68  1  0.773029  0.269711  0.315808  1
  H  H69  1  0.959910  0.400900  0.271364  1
  H  H70  1  0.939696  0.603045  0.315808  1
  H  H71  1  0.116469  0.335306  0.293586  1
  H  H72  1  0.273029  0.269711  0.315808  1
  H  H73  1  0.736873  0.631272  0.395303  1
  H  H74  1  0.236873  0.631272  0.395303  1
  H  H75  1  0.423754  0.762461  0.350858  1
  H  H76  1  0.570206  0.297939  0.395303  1
  H  H77  1  0.580313  0.696866  0.373081  1
  H  H78  1  0.757087  0.429127  0.350858  1
  H  H79  1  0.923754  0.762461  0.350858  1
  H  H80  1  0.070206  0.297939  0.395303  1
  H  H81  1  0.080313  0.696866  0.373081  1
  H  H82  1  0.257087  0.429127  0.350858  1
  H  H83  1  0.403539  0.964606  0.395303  1
  H  H84  1  0.413647  0.363533  0.373081  1
  H  H85  1  0.590421  0.095794  0.350858  1
  H  H86  1  0.746980  0.030200  0.373081  1
  H  H87  1  0.903539  0.964606  0.395303  1
  H  H88  1  0.913647  0.363533  0.373081  1
  H  H89  1  0.090421  0.095794  0.350858  1
  H  H90  1  0.246980  0.030200  0.373081  1
  H  H91  1  0.679588  0.704117  0.338031  1
  H  H92  1  0.179588  0.704117  0.338031  1
  H  H93  1  0.336148  0.638523  0.360253  1
  H  H94  1  0.512922  0.370784  0.338031  1
  H  H95  1  0.492707  0.572929  0.382475  1
  H  H96  1  0.669481  0.305190  0.360253  1
  H  H97  1  0.836148  0.638523  0.360253  1
  H  H98  1  0.012922  0.370784  0.338031  1
  H  H99  1  0.992707  0.572929  0.382475  1
  H  H100  1  0.169481  0.305190  0.360253  1
  H  H101  1  0.346255  0.037450  0.338031  1
  H  H102  1  0.326040  0.239595  0.382475  1
  H  H103  1  0.502814  0.971856  0.360253  1
  H  H104  1  0.659374  0.906262  0.382475  1
  H  H105  1  0.846255  0.037450  0.338031  1
  H  H106  1  0.826040  0.239595  0.382475  1
  H  H107  1  0.002814  0.971856  0.360253  1
  H  H108  1  0.159374  0.906262  0.382475  1
  H  H109  1  0.663647  0.863533  0.373081  1
  H  H110  1  0.163647  0.863533  0.373081  1
  H  H111  1  0.320206  0.797939  0.395303  1
  H  H112  1  0.496980  0.530200  0.373081  1
  H  H113  1  0.507087  0.929127  0.350858  1
  H  H114  1  0.653539  0.464606  0.395303  1
  H  H115  1  0.820206  0.797939  0.395303  1
  H  H116  1  0.996980  0.530200  0.373081  1
  H  H117  1  0.007087  0.929127  0.350858  1
  H  H118  1  0.153539  0.464606  0.395303  1
  H  H119  1  0.330313  0.196866  0.373081  1
  H  H120  1  0.340421  0.595794  0.350858  1
  H  H121  1  0.486873  0.131272  0.395303  1
  H  H122  1  0.673754  0.262461  0.350858  1
  H  H123  1  0.830313  0.196866  0.373081  1
  H  H124  1  0.840421  0.595794  0.350858  1
  H  H125  1  0.986873  0.131272  0.395303  1
  H  H126  1  0.173754  0.262461  0.350858  1
  H  H127  1  0.762922  0.870784  0.338031  1
  H  H128  1  0.262922  0.870784  0.338031  1
  H  H129  1  0.419481  0.805190  0.360253  1
  H  H130  1  0.596255  0.537450  0.338031  1
  H  H131  1  0.576040  0.739595  0.382475  1
  H  H132  1  0.752814  0.471856  0.360253  1
  H  H133  1  0.919481  0.805190  0.360253  1
  H  H134  1  0.096255  0.537450  0.338031  1
  H  H135  1  0.076040  0.739595  0.382475  1
  H  H136  1  0.252814  0.471856  0.360253  1
  H  H137  1  0.429588  0.204117  0.338031  1
  H  H138  1  0.409374  0.406262  0.382475  1
  H  H139  1  0.586148  0.138523  0.360253  1
  H  H140  1  0.742707  0.072929  0.382475  1
  H  H141  1  0.929588  0.204117  0.338031  1
  H  H142  1  0.909374  0.406262  0.382475  1
  H  H143  1  0.086148  0.138523  0.360253  1
  H  H144  1  0.242707  0.072929  0.382475  1
  H  H145  1  0.706551  0.434489  0.461969  1
  H  H146  1  0.206551  0.434489  0.461969  1
  H  H147  1  0.393432  0.565678  0.417525  1
  H  H148  1  0.539884  0.101156  0.461969  1
  H  H149  1  0.549992  0.500084  0.439747  1
  H  H150  1  0.726766  0.232345  0.417525  1
  H  H151  1  0.893432  0.565678  0.417525  1
  H  H152  1  0.039884  0.101156  0.461969  1
  H  H153  1  0.049992  0.500084  0.439747  1
  H  H154  1  0.226766  0.232345  0.417525  1
  H  H155  1  0.373218  0.767823  0.461969  1
  H  H156  1  0.383325  0.166750  0.439747  1
  H  H157  1  0.560099  0.899011  0.417525  1
  H  H158  1  0.716658  0.833417  0.439747  1
  H  H159  1  0.873218  0.767823  0.461969  1
  H  H160  1  0.883325  0.166750  0.439747  1
  H  H161  1  0.060099  0.899011  0.417525  1
  H  H162  1  0.216658  0.833417  0.439747  1
  H  H163  1  0.649267  0.507334  0.404697  1
  H  H164  1  0.149267  0.507334  0.404697  1
  H  H165  1  0.305826  0.441740  0.426919  1
  H  H166  1  0.482600  0.174001  0.404697  1
  H  H167  1  0.462385  0.376146  0.449142  1
  H  H168  1  0.639159  0.108407  0.426919  1
  H  H169  1  0.805826  0.441740  0.426919  1
  H  H170  1  0.982600  0.174001  0.404697  1
  H  H171  1  0.962385  0.376146  0.449142  1
  H  H172  1  0.139159  0.108407  0.426919  1
  H  H173  1  0.315933  0.840668  0.404697  1
  H  H174  1  0.295719  0.042813  0.449142  1
  H  H175  1  0.472493  0.775073  0.426919  1
  H  H176  1  0.629052  0.709479  0.449142  1
  H  H177  1  0.815933  0.840668  0.404697  1
  H  H178  1  0.795719  0.042813  0.449142  1
  H  H179  1  0.972493  0.775073  0.426919  1
  H  H180  1  0.129052  0.709479  0.449142  1
  H  H181  1  0.633325  0.666750  0.439747  1
  H  H182  1  0.133325  0.666750  0.439747  1
  H  H183  1  0.289884  0.601156  0.461969  1
  H  H184  1  0.466658  0.333417  0.439747  1
  H  H185  1  0.476766  0.732345  0.417525  1
  H  H186  1  0.623218  0.267823  0.461969  1
  H  H187  1  0.789884  0.601156  0.461969  1
  H  H188  1  0.966658  0.333417  0.439747  1
  H  H189  1  0.976766  0.732345  0.417525  1
  H  H190  1  0.123218  0.267823  0.461969  1
  H  H191  1  0.299992  0.000084  0.439747  1
  H  H192  1  0.310099  0.399011  0.417525  1
  H  H193  1  0.456551  0.934489  0.461969  1
  H  H194  1  0.643432  0.065678  0.417525  1
  H  H195  1  0.799992  0.000084  0.439747  1
  H  H196  1  0.810099  0.399011  0.417525  1
  H  H197  1  0.956551  0.934489  0.461969  1
  H  H198  1  0.143432  0.065678  0.417525  1
  H  H199  1  0.732600  0.674001  0.404697  1
  H  H200  1  0.232600  0.674001  0.404697  1
  H  H201  1  0.389159  0.608407  0.426919  1
  H  H202  1  0.565933  0.340668  0.404697  1
  H  H203  1  0.545719  0.542813  0.449142  1
  H  H204  1  0.722493  0.275073  0.426919  1
  H  H205  1  0.889159  0.608407  0.426919  1
  H  H206  1  0.065933  0.340668  0.404697  1
  H  H207  1  0.045719  0.542813  0.449142  1
  H  H208  1  0.222493  0.275073  0.426919  1
  H  H209  1  0.399267  0.007334  0.404697  1
  H  H210  1  0.379052  0.209479  0.449142  1
  H  H211  1  0.555826  0.941740  0.426919  1
  H  H212  1  0.712385  0.876146  0.449142  1
  H  H213  1  0.899267  0.007334  0.404697  1
  H  H214  1  0.879052  0.209479  0.449142  1
  H  H215  1  0.055826  0.941740  0.426919  1
  H  H216  1  0.212385  0.876146  0.449142  1
  H  H217  1  0.676229  0.237707  0.528636  1
  H  H218  1  0.176229  0.237707  0.528636  1
  H  H219  1  0.363110  0.368895  0.484192  1
  H  H220  1  0.509563  0.904373  0.528636  1
  H  H221  1  0.519670  0.303301  0.506414  1
  H  H222  1  0.696444  0.035562  0.484192  1
  H  H223  1  0.863110  0.368895  0.484192  1
  H  H224  1  0.009563  0.904373  0.528636  1
  H  H225  1  0.019670  0.303301  0.506414  1
  H  H226  1  0.196444  0.035562  0.484192  1
  H  H227  1  0.342896  0.571040  0.528636  1
  H  H228  1  0.353003  0.969968  0.506414  1
  H  H229  1  0.529777  0.702229  0.484192  1
  H  H230  1  0.686337  0.636634  0.506414  1
  H  H231  1  0.842896  0.571040  0.528636  1
  H  H232  1  0.853003  0.969968  0.506414  1
  H  H233  1  0.029777  0.702229  0.484192  1
  H  H234  1  0.186337  0.636634  0.506414  1
  H  H235  1  0.618945  0.310552  0.471364  1
  H  H236  1  0.118945  0.310552  0.471364  1
  H  H237  1  0.275504  0.244957  0.493586  1
  H  H238  1  0.452278  0.977218  0.471364  1
  H  H239  1  0.432064  0.179363  0.515808  1
  H  H240  1  0.608838  0.911624  0.493586  1
  H  H241  1  0.775504  0.244957  0.493586  1
  H  H242  1  0.952278  0.977218  0.471364  1
  H  H243  1  0.932064  0.179363  0.515808  1
  H  H244  1  0.108838  0.911624  0.493586  1
  H  H245  1  0.285612  0.643885  0.471364  1
  H  H246  1  0.265397  0.846030  0.515808  1
  H  H247  1  0.442171  0.578291  0.493586  1
  H  H248  1  0.598730  0.512696  0.515808  1
  H  H249  1  0.785612  0.643885  0.471364  1
  H  H250  1  0.765397  0.846030  0.515808  1
  H  H251  1  0.942171  0.578291  0.493586  1
  H  H252  1  0.098730  0.512696  0.515808  1
  H  H253  1  0.603003  0.469968  0.506414  1
  H  H254  1  0.103003  0.469968  0.506414  1
  H  H255  1  0.259563  0.404373  0.528636  1
  H  H256  1  0.436337  0.136634  0.506414  1
  H  H257  1  0.446444  0.535562  0.484192  1
  H  H258  1  0.592896  0.071040  0.528636  1
  H  H259  1  0.759563  0.404373  0.528636  1
  H  H260  1  0.936337  0.136634  0.506414  1
  H  H261  1  0.946444  0.535562  0.484192  1
  H  H262  1  0.092896  0.071040  0.528636  1
  H  H263  1  0.269670  0.803301  0.506414  1
  H  H264  1  0.279777  0.202229  0.484192  1
  H  H265  1  0.426229  0.737707  0.528636  1
  H  H266  1  0.613110  0.868895  0.484192  1
  H  H267  1  0.769670  0.803301  0.506414  1
  H  H268  1  0.779777  0.202229  0.484192  1
  H  H269  1  0.926229  0.737707  0.528636  1
  H  H270  1  0.113110  0.868895  0.484192  1
  H  H271  1  0.702278  0.477218  0.471364  1
  H  H272  1  0.202278  0.477218  0.471364  1
  H  H273  1  0.358838  0.411624  0.493586  1
  H  H274  1  0.535612  0.143885  0.471364  1
  H  H275  1  0.515397  0.346030  0.515808  1
  H  H276  1  0.692171  0.078291  0.493586  1
  H  H277  1  0.858838  0.411624  0.493586  1
  H  H278  1  0.035612  0.143885  0.471364  1
  H  H279  1  0.015397  0.346030  0.515808  1
  H  H280  1  0.192171  0.078291  0.493586  1
  H  H281  1  0.368945  0.810552  0.471364  1
  H  H282  1  0.348730  0.012696  0.515808  1
  H  H283  1  0.525504  0.744957  0.493586  1
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  H  H503  1  0.934539  0.154609  0.693586  1
  H  H504  1  0.091099  0.089015  0.715808  1
