# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.60544667
_cell_length_b   16.62651516
_cell_length_c   47.37088056
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.78445883
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H528
_cell_volume   11321.0769996
_cell_formula_units_Z   264
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  0.503521  0.584376  0.290375  1
  H  H2  1  0.170188  0.584376  0.290375  1
  H  H3  1  0.336854  0.584376  0.290375  1
  H  H4  1  0.836854  0.584376  0.290375  1
  H  H5  1  1.003521  0.584376  0.290375  1
  H  H6  1  0.336854  0.084376  0.290375  1
  H  H7  1  0.503521  0.084376  0.290375  1
  H  H8  1  0.670188  0.584376  0.290375  1
  H  H9  1  1.003521  0.084376  0.290375  1
  H  H10  1  0.170188  0.084376  0.290375  1
  H  H11  1  0.670188  0.084376  0.290375  1
  H  H12  1  0.836854  0.084376  0.290375  1
  H  H13  1  0.545188  0.209376  0.290375  1
  H  H14  1  0.211854  0.209376  0.290375  1
  H  H15  1  0.378521  0.209376  0.290375  1
  H  H16  1  0.878521  0.209376  0.290375  1
  H  H17  1  0.045188  0.209376  0.290375  1
  H  H18  1  0.378521  0.709376  0.290375  1
  H  H19  1  0.545188  0.709376  0.290375  1
  H  H20  1  0.711854  0.209376  0.290375  1
  H  H21  1  0.045188  0.709376  0.290375  1
  H  H22  1  0.211854  0.709376  0.290375  1
  H  H23  1  0.711854  0.709376  0.290375  1
  H  H24  1  0.878521  0.709376  0.290375  1
  H  H25  1  0.586854  0.334376  0.290375  1
  H  H26  1  0.253521  0.334376  0.290375  1
  H  H27  1  0.420188  0.334376  0.290375  1
  H  H28  1  0.920188  0.334376  0.290375  1
  H  H29  1  0.086854  0.334376  0.290375  1
  H  H30  1  0.420188  0.834376  0.290375  1
  H  H31  1  0.586854  0.834376  0.290375  1
  H  H32  1  0.753521  0.334376  0.290375  1
  H  H33  1  0.086854  0.834376  0.290375  1
  H  H34  1  0.253521  0.834376  0.290375  1
  H  H35  1  0.753521  0.834376  0.290375  1
  H  H36  1  0.920188  0.834376  0.290375  1
  H  H37  1  0.628521  0.459376  0.290375  1
  H  H38  1  0.295188  0.459376  0.290375  1
  H  H39  1  0.461854  0.459376  0.290375  1
  H  H40  1  0.961854  0.459376  0.290375  1
  H  H41  1  0.128521  0.459376  0.290375  1
  H  H42  1  0.461854  0.959376  0.290375  1
  H  H43  1  0.628521  0.959376  0.290375  1
  H  H44  1  0.795188  0.459376  0.290375  1
  H  H45  1  0.128521  0.959376  0.290375  1
  H  H46  1  0.295188  0.959376  0.290375  1
  H  H47  1  0.795188  0.959376  0.290375  1
  H  H48  1  0.961854  0.959376  0.290375  1
  H  H49  1  0.421982  0.546759  0.330231  1
  H  H50  1  0.088649  0.546759  0.330231  1
  H  H51  1  0.255315  0.546759  0.330231  1
  H  H52  1  0.755315  0.546759  0.330231  1
  H  H53  1  0.921982  0.546759  0.330231  1
  H  H54  1  0.255315  0.046759  0.330231  1
  H  H55  1  0.421982  0.046759  0.330231  1
  H  H56  1  0.588649  0.546759  0.330231  1
  H  H57  1  0.921982  0.046759  0.330231  1
  H  H58  1  0.088649  0.046759  0.330231  1
  H  H59  1  0.588649  0.046759  0.330231  1
  H  H60  1  0.755315  0.046759  0.330231  1
  H  H61  1  0.463649  0.171759  0.330231  1
  H  H62  1  0.130315  0.171759  0.330231  1
  H  H63  1  0.296982  0.171759  0.330231  1
  H  H64  1  0.796982  0.171759  0.330231  1
  H  H65  1  0.963649  0.171759  0.330231  1
  H  H66  1  0.296982  0.671759  0.330231  1
  H  H67  1  0.463649  0.671759  0.330231  1
  H  H68  1  0.630315  0.171759  0.330231  1
  H  H69  1  0.963649  0.671759  0.330231  1
  H  H70  1  0.130315  0.671759  0.330231  1
  H  H71  1  0.630315  0.671759  0.330231  1
  H  H72  1  0.796982  0.671759  0.330231  1
  H  H73  1  0.505315  0.296759  0.330231  1
  H  H74  1  0.171982  0.296759  0.330231  1
  H  H75  1  0.338649  0.296759  0.330231  1
  H  H76  1  0.838649  0.296759  0.330231  1
  H  H77  1  1.005315  0.296759  0.330231  1
  H  H78  1  0.338649  0.796759  0.330231  1
  H  H79  1  0.505315  0.796759  0.330231  1
  H  H80  1  0.671982  0.296759  0.330231  1
  H  H81  1  1.005315  0.796759  0.330231  1
  H  H82  1  0.171982  0.796759  0.330231  1
  H  H83  1  0.671982  0.796759  0.330231  1
  H  H84  1  0.838649  0.796759  0.330231  1
  H  H85  1  0.546982  0.421759  0.330231  1
  H  H86  1  0.213649  0.421759  0.330231  1
  H  H87  1  0.380315  0.421759  0.330231  1
  H  H88  1  0.880315  0.421759  0.330231  1
  H  H89  1  0.046982  0.421759  0.330231  1
  H  H90  1  0.380315  0.921759  0.330231  1
  H  H91  1  0.546982  0.921759  0.330231  1
  H  H92  1  0.713649  0.421759  0.330231  1
  H  H93  1  0.046982  0.921759  0.330231  1
  H  H94  1  0.213649  0.921759  0.330231  1
  H  H95  1  0.713649  0.921759  0.330231  1
  H  H96  1  0.880315  0.921759  0.330231  1
  H  H97  1  0.340371  0.510484  0.369529  1
  H  H98  1  1.007038  0.510484  0.369529  1
  H  H99  1  0.173705  0.510484  0.369529  1
  H  H100  1  0.673705  0.510484  0.369529  1
  H  H101  1  0.840371  0.510484  0.369529  1
  H  H102  1  0.173705  0.010484  0.369529  1
  H  H103  1  0.340371  0.010484  0.369529  1
  H  H104  1  0.507038  0.510484  0.369529  1
  H  H105  1  0.840371  0.010484  0.369529  1
  H  H106  1  1.007038  0.010484  0.369529  1
  H  H107  1  0.507038  0.010484  0.369529  1
  H  H108  1  0.673705  0.010484  0.369529  1
  H  H109  1  0.382038  0.135484  0.369529  1
  H  H110  1  0.048705  0.135484  0.369529  1
  H  H111  1  0.215371  0.135484  0.369529  1
  H  H112  1  0.715371  0.135484  0.369529  1
  H  H113  1  0.882038  0.135484  0.369529  1
  H  H114  1  0.215371  0.635484  0.369529  1
  H  H115  1  0.382038  0.635484  0.369529  1
  H  H116  1  0.548705  0.135484  0.369529  1
  H  H117  1  0.882038  0.635484  0.369529  1
  H  H118  1  0.048705  0.635484  0.369529  1
  H  H119  1  0.548705  0.635484  0.369529  1
  H  H120  1  0.715371  0.635484  0.369529  1
  H  H121  1  0.423705  0.260484  0.369529  1
  H  H122  1  0.090371  0.260484  0.369529  1
  H  H123  1  0.257038  0.260484  0.369529  1
  H  H124  1  0.757038  0.260484  0.369529  1
  H  H125  1  0.923705  0.260484  0.369529  1
  H  H126  1  0.257038  0.760484  0.369529  1
  H  H127  1  0.423705  0.760484  0.369529  1
  H  H128  1  0.590371  0.260484  0.369529  1
  H  H129  1  0.923705  0.760484  0.369529  1
  H  H130  1  0.090371  0.760484  0.369529  1
  H  H131  1  0.590371  0.760484  0.369529  1
  H  H132  1  0.757038  0.760484  0.369529  1
  H  H133  1  0.465371  0.385484  0.369529  1
  H  H134  1  0.132038  0.385484  0.369529  1
  H  H135  1  0.298705  0.385484  0.369529  1
  H  H136  1  0.798705  0.385484  0.369529  1
  H  H137  1  0.965371  0.385484  0.369529  1
  H  H138  1  0.298705  0.885484  0.369529  1
  H  H139  1  0.465371  0.885484  0.369529  1
  H  H140  1  0.632038  0.385484  0.369529  1
  H  H141  1  0.965371  0.885484  0.369529  1
  H  H142  1  0.132038  0.885484  0.369529  1
  H  H143  1  0.632038  0.885484  0.369529  1
  H  H144  1  0.798705  0.885484  0.369529  1
  H  H145  1  0.258763  0.473666  0.408985  1
  H  H146  1  0.925430  0.473666  0.408985  1
  H  H147  1  0.092096  0.473666  0.408985  1
  H  H148  1  0.592096  0.473666  0.408985  1
  H  H149  1  0.758763  0.473666  0.408985  1
  H  H150  1  0.092096  0.973666  0.408985  1
  H  H151  1  0.258763  0.973666  0.408985  1
  H  H152  1  0.425430  0.473666  0.408985  1
  H  H153  1  0.758763  0.973666  0.408985  1
  H  H154  1  0.925430  0.973666  0.408985  1
  H  H155  1  0.425430  0.973666  0.408985  1
  H  H156  1  0.592096  0.973666  0.408985  1
  H  H157  1  0.300430  0.098666  0.408985  1
  H  H158  1  0.967096  0.098666  0.408985  1
  H  H159  1  0.133763  0.098666  0.408985  1
  H  H160  1  0.633763  0.098666  0.408985  1
  H  H161  1  0.800430  0.098666  0.408985  1
  H  H162  1  0.133763  0.598666  0.408985  1
  H  H163  1  0.300430  0.598666  0.408985  1
  H  H164  1  0.467096  0.098666  0.408985  1
  H  H165  1  0.800430  0.598666  0.408985  1
  H  H166  1  0.967096  0.598666  0.408985  1
  H  H167  1  0.467096  0.598666  0.408985  1
  H  H168  1  0.633763  0.598666  0.408985  1
  H  H169  1  0.342096  0.223666  0.408985  1
  H  H170  1  0.008763  0.223666  0.408985  1
  H  H171  1  0.175430  0.223666  0.408985  1
  H  H172  1  0.675430  0.223666  0.408985  1
  H  H173  1  0.842096  0.223666  0.408985  1
  H  H174  1  0.175430  0.723666  0.408985  1
  H  H175  1  0.342096  0.723666  0.408985  1
  H  H176  1  0.508763  0.223666  0.408985  1
  H  H177  1  0.842096  0.723666  0.408985  1
  H  H178  1  0.008763  0.723666  0.408985  1
  H  H179  1  0.508763  0.723666  0.408985  1
  H  H180  1  0.675430  0.723666  0.408985  1
  H  H181  1  0.383763  0.348666  0.408985  1
  H  H182  1  0.050430  0.348666  0.408985  1
  H  H183  1  0.217096  0.348666  0.408985  1
  H  H184  1  0.717096  0.348666  0.408985  1
  H  H185  1  0.883763  0.348666  0.408985  1
  H  H186  1  0.217096  0.848666  0.408985  1
  H  H187  1  0.383763  0.848666  0.408985  1
  H  H188  1  0.550430  0.348666  0.408985  1
  H  H189  1  0.883763  0.848666  0.408985  1
  H  H190  1  0.050430  0.848666  0.408985  1
  H  H191  1  0.550430  0.848666  0.408985  1
  H  H192  1  0.717096  0.848666  0.408985  1
  H  H193  1  0.177143  0.437073  0.448446  1
  H  H194  1  0.843809  0.437073  0.448446  1
  H  H195  1  0.010476  0.437073  0.448446  1
  H  H196  1  0.510476  0.437073  0.448446  1
  H  H197  1  0.677143  0.437073  0.448446  1
  H  H198  1  0.010476  0.937073  0.448446  1
  H  H199  1  0.177143  0.937073  0.448446  1
  H  H200  1  0.343809  0.437073  0.448446  1
  H  H201  1  0.677143  0.937073  0.448446  1
  H  H202  1  0.843809  0.937073  0.448446  1
  H  H203  1  0.343809  0.937073  0.448446  1
  H  H204  1  0.510476  0.937073  0.448446  1
  H  H205  1  0.218809  0.062073  0.448446  1
  H  H206  1  0.885476  0.062073  0.448446  1
  H  H207  1  0.052143  0.062073  0.448446  1
  H  H208  1  0.552143  0.062073  0.448446  1
  H  H209  1  0.718809  0.062073  0.448446  1
  H  H210  1  0.052143  0.562073  0.448446  1
  H  H211  1  0.218809  0.562073  0.448446  1
  H  H212  1  0.385476  0.062073  0.448446  1
  H  H213  1  0.718809  0.562073  0.448446  1
  H  H214  1  0.885476  0.562073  0.448446  1
  H  H215  1  0.385476  0.562073  0.448446  1
  H  H216  1  0.552143  0.562073  0.448446  1
  H  H217  1  0.260476  0.187073  0.448446  1
  H  H218  1  0.927143  0.187073  0.448446  1
  H  H219  1  0.093809  0.187073  0.448446  1
  H  H220  1  0.593809  0.187073  0.448446  1
  H  H221  1  0.760476  0.187073  0.448446  1
  H  H222  1  0.093809  0.687073  0.448446  1
  H  H223  1  0.260476  0.687073  0.448446  1
  H  H224  1  0.427143  0.187073  0.448446  1
  H  H225  1  0.760476  0.687073  0.448446  1
  H  H226  1  0.927143  0.687073  0.448446  1
  H  H227  1  0.427143  0.687073  0.448446  1
  H  H228  1  0.593809  0.687073  0.448446  1
  H  H229  1  0.302143  0.312073  0.448446  1
  H  H230  1  0.968809  0.312073  0.448446  1
  H  H231  1  0.135476  0.312073  0.448446  1
  H  H232  1  0.635476  0.312073  0.448446  1
  H  H233  1  0.802143  0.312073  0.448446  1
  H  H234  1  0.135476  0.812073  0.448446  1
  H  H235  1  0.302143  0.812073  0.448446  1
  H  H236  1  0.468809  0.312073  0.448446  1
  H  H237  1  0.802143  0.812073  0.448446  1
  H  H238  1  0.968809  0.812073  0.448446  1
  H  H239  1  0.468809  0.812073  0.448446  1
  H  H240  1  0.635476  0.812073  0.448446  1
  H  H241  1  0.095519  0.400420  0.487907  1
  H  H242  1  0.762185  0.400420  0.487907  1
  H  H243  1  0.928852  0.400420  0.487907  1
  H  H244  1  0.428852  0.400420  0.487907  1
  H  H245  1  0.595519  0.400420  0.487907  1
  H  H246  1  0.928852  0.900420  0.487907  1
  H  H247  1  0.095519  0.900420  0.487907  1
  H  H248  1  0.262185  0.400420  0.487907  1
  H  H249  1  0.595519  0.900420  0.487907  1
  H  H250  1  0.762185  0.900420  0.487907  1
  H  H251  1  0.262185  0.900420  0.487907  1
  H  H252  1  0.428852  0.900420  0.487907  1
  H  H253  1  0.137185  0.025420  0.487907  1
  H  H254  1  0.803852  0.025420  0.487907  1
  H  H255  1  0.970519  0.025420  0.487907  1
  H  H256  1  0.470519  0.025420  0.487907  1
  H  H257  1  0.637185  0.025420  0.487907  1
  H  H258  1  0.970519  0.525420  0.487907  1
  H  H259  1  0.137185  0.525420  0.487907  1
  H  H260  1  0.303852  0.025420  0.487907  1
  H  H261  1  0.637185  0.525420  0.487907  1
  H  H262  1  0.803852  0.525420  0.487907  1
  H  H263  1  0.303852  0.525420  0.487907  1
  H  H264  1  0.470519  0.525420  0.487907  1
  H  H265  1  0.178852  0.150420  0.487907  1
  H  H266  1  0.845519  0.150420  0.487907  1
  H  H267  1  0.012185  0.150420  0.487907  1
  H  H268  1  0.512185  0.150420  0.487907  1
  H  H269  1  0.678852  0.150420  0.487907  1
  H  H270  1  0.012185  0.650420  0.487907  1
  H  H271  1  0.178852  0.650420  0.487907  1
  H  H272  1  0.345519  0.150420  0.487907  1
  H  H273  1  0.678852  0.650420  0.487907  1
  H  H274  1  0.845519  0.650420  0.487907  1
  H  H275  1  0.345519  0.650420  0.487907  1
  H  H276  1  0.512185  0.650420  0.487907  1
  H  H277  1  0.220519  0.275420  0.487907  1
  H  H278  1  0.887185  0.275420  0.487907  1
  H  H279  1  0.053852  0.275420  0.487907  1
  H  H280  1  0.553852  0.275420  0.487907  1
  H  H281  1  0.720519  0.275420  0.487907  1
  H  H282  1  0.053852  0.775420  0.487907  1
  H  H283  1  0.220519  0.775420  0.487907  1
  H  H284  1  0.387185  0.275420  0.487907  1
  H  H285  1  0.720519  0.775420  0.487907  1
  H  H286  1  0.887185  0.775420  0.487907  1
  H  H287  1  0.387185  0.775420  0.487907  1
  H  H288  1  0.553852  0.775420  0.487907  1
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