# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.11280299
_cell_length_b   17.11280299
_cell_length_c   16.52182653
_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   H399
_cell_volume   4838.38428739
_cell_formula_units_Z   199
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  0.100000  0.100000  0.272382  1
  H  H2  1  0.100000  0.100000  0.522382  1
  H  H3  1  0.100000  0.100000  0.772382  1
  H  H4  1  0.100000  0.300000  0.022382  1
  H  H5  1  0.100000  0.300000  0.272382  1
  H  H6  1  0.100000  0.300000  0.522382  1
  H  H7  1  0.100000  0.300000  0.772382  1
  H  H8  1  0.100000  0.500000  0.022382  1
  H  H9  1  0.100000  0.500000  0.272382  1
  H  H10  1  0.100000  0.500000  0.522382  1
  H  H11  1  0.100000  0.500000  0.772382  1
  H  H12  1  0.100000  0.700000  0.022382  1
  H  H13  1  0.100000  0.700000  0.272382  1
  H  H14  1  0.100000  0.700000  0.522382  1
  H  H15  1  0.100000  0.700000  0.772382  1
  H  H16  1  0.100000  0.900000  0.022382  1
  H  H17  1  0.100000  0.900000  0.272382  1
  H  H18  1  0.100000  0.900000  0.522382  1
  H  H19  1  0.100000  0.900000  0.772382  1
  H  H20  1  0.300000  0.100000  0.022382  1
  H  H21  1  0.300000  0.100000  0.272382  1
  H  H22  1  0.300000  0.100000  0.522382  1
  H  H23  1  0.300000  0.100000  0.772382  1
  H  H24  1  0.300000  0.300000  0.022382  1
  H  H25  1  0.300000  0.300000  0.272382  1
  H  H26  1  0.300000  0.300000  0.522382  1
  H  H27  1  0.300000  0.300000  0.772382  1
  H  H28  1  0.300000  0.500000  0.022382  1
  H  H29  1  0.300000  0.500000  0.272382  1
  H  H30  1  0.300000  0.500000  0.522382  1
  H  H31  1  0.300000  0.500000  0.772382  1
  H  H32  1  0.300000  0.700000  0.022382  1
  H  H33  1  0.300000  0.700000  0.272382  1
  H  H34  1  0.300000  0.700000  0.522382  1
  H  H35  1  0.300000  0.700000  0.772382  1
  H  H36  1  0.300000  0.900000  0.022382  1
  H  H37  1  0.300000  0.900000  0.272382  1
  H  H38  1  0.300000  0.900000  0.522382  1
  H  H39  1  0.300000  0.900000  0.772382  1
  H  H40  1  0.500000  0.100000  0.022382  1
  H  H41  1  0.500000  0.100000  0.272382  1
  H  H42  1  0.500000  0.100000  0.522382  1
  H  H43  1  0.500000  0.100000  0.772382  1
  H  H44  1  0.500000  0.300000  0.022382  1
  H  H45  1  0.500000  0.300000  0.272382  1
  H  H46  1  0.500000  0.300000  0.522382  1
  H  H47  1  0.500000  0.300000  0.772382  1
  H  H48  1  0.500000  0.500000  0.022382  1
  H  H49  1  0.500000  0.500000  0.272382  1
  H  H50  1  0.500000  0.500000  0.522382  1
  H  H51  1  0.500000  0.500000  0.772382  1
  H  H52  1  0.500000  0.700000  0.022382  1
  H  H53  1  0.500000  0.700000  0.272382  1
  H  H54  1  0.500000  0.700000  0.522382  1
  H  H55  1  0.500000  0.700000  0.772382  1
  H  H56  1  0.500000  0.900000  0.022382  1
  H  H57  1  0.500000  0.900000  0.272382  1
  H  H58  1  0.500000  0.900000  0.522382  1
  H  H59  1  0.500000  0.900000  0.772382  1
  H  H60  1  0.700000  0.100000  0.022382  1
  H  H61  1  0.700000  0.100000  0.272382  1
  H  H62  1  0.700000  0.100000  0.522382  1
  H  H63  1  0.700000  0.100000  0.772382  1
  H  H64  1  0.700000  0.300000  0.022382  1
  H  H65  1  0.700000  0.300000  0.272382  1
  H  H66  1  0.700000  0.300000  0.522382  1
  H  H67  1  0.700000  0.300000  0.772382  1
  H  H68  1  0.700000  0.500000  0.022382  1
  H  H69  1  0.700000  0.500000  0.272382  1
  H  H70  1  0.700000  0.500000  0.522382  1
  H  H71  1  0.700000  0.500000  0.772382  1
  H  H72  1  0.700000  0.700000  0.022382  1
  H  H73  1  0.700000  0.700000  0.272382  1
  H  H74  1  0.700000  0.700000  0.522382  1
  H  H75  1  0.700000  0.700000  0.772382  1
  H  H76  1  0.700000  0.900000  0.022382  1
  H  H77  1  0.700000  0.900000  0.272382  1
  H  H78  1  0.700000  0.900000  0.522382  1
  H  H79  1  0.700000  0.900000  0.772382  1
  H  H80  1  0.900000  0.100000  0.022382  1
  H  H81  1  0.900000  0.100000  0.272382  1
  H  H82  1  0.900000  0.100000  0.522382  1
  H  H83  1  0.900000  0.100000  0.772382  1
  H  H84  1  0.900000  0.300000  0.022382  1
  H  H85  1  0.900000  0.300000  0.272382  1
  H  H86  1  0.900000  0.300000  0.522382  1
  H  H87  1  0.900000  0.300000  0.772382  1
  H  H88  1  0.900000  0.500000  0.022382  1
  H  H89  1  0.900000  0.500000  0.272382  1
  H  H90  1  0.900000  0.500000  0.522382  1
  H  H91  1  0.900000  0.500000  0.772382  1
  H  H92  1  0.900000  0.700000  0.022382  1
  H  H93  1  0.900000  0.700000  0.272382  1
  H  H94  1  0.900000  0.700000  0.522382  1
  H  H95  1  0.900000  0.700000  0.772382  1
  H  H96  1  0.900000  0.900000  0.022382  1
  H  H97  1  0.900000  0.900000  0.272382  1
  H  H98  1  0.900000  0.900000  0.522382  1
  H  H99  1  0.900000  0.900000  0.772382  1
  H  H100  1  0.100000  0.100000  0.227618  1
  H  H101  1  0.100000  0.100000  0.477618  1
  H  H102  1  0.100000  0.100000  0.727618  1
  H  H103  1  0.100000  0.100000  0.977618  1
  H  H104  1  0.100000  0.300000  0.227618  1
  H  H105  1  0.100000  0.300000  0.477618  1
  H  H106  1  0.100000  0.300000  0.727618  1
  H  H107  1  0.100000  0.300000  0.977618  1
  H  H108  1  0.100000  0.500000  0.227618  1
  H  H109  1  0.100000  0.500000  0.477618  1
  H  H110  1  0.100000  0.500000  0.727618  1
  H  H111  1  0.100000  0.500000  0.977618  1
  H  H112  1  0.100000  0.700000  0.227618  1
  H  H113  1  0.100000  0.700000  0.477618  1
  H  H114  1  0.100000  0.700000  0.727618  1
  H  H115  1  0.100000  0.700000  0.977618  1
  H  H116  1  0.100000  0.900000  0.227618  1
  H  H117  1  0.100000  0.900000  0.477618  1
  H  H118  1  0.100000  0.900000  0.727618  1
  H  H119  1  0.100000  0.900000  0.977618  1
  H  H120  1  0.300000  0.100000  0.227618  1
  H  H121  1  0.300000  0.100000  0.477618  1
  H  H122  1  0.300000  0.100000  0.727618  1
  H  H123  1  0.300000  0.100000  0.977618  1
  H  H124  1  0.300000  0.300000  0.227618  1
  H  H125  1  0.300000  0.300000  0.477618  1
  H  H126  1  0.300000  0.300000  0.727618  1
  H  H127  1  0.300000  0.300000  0.977618  1
  H  H128  1  0.300000  0.500000  0.227618  1
  H  H129  1  0.300000  0.500000  0.477618  1
  H  H130  1  0.300000  0.500000  0.727618  1
  H  H131  1  0.300000  0.500000  0.977618  1
  H  H132  1  0.300000  0.700000  0.227618  1
  H  H133  1  0.300000  0.700000  0.477618  1
  H  H134  1  0.300000  0.700000  0.727618  1
  H  H135  1  0.300000  0.700000  0.977618  1
  H  H136  1  0.300000  0.900000  0.227618  1
  H  H137  1  0.300000  0.900000  0.477618  1
  H  H138  1  0.300000  0.900000  0.727618  1
  H  H139  1  0.300000  0.900000  0.977618  1
  H  H140  1  0.500000  0.100000  0.227618  1
  H  H141  1  0.500000  0.100000  0.477618  1
  H  H142  1  0.500000  0.100000  0.727618  1
  H  H143  1  0.500000  0.100000  0.977618  1
  H  H144  1  0.500000  0.300000  0.227618  1
  H  H145  1  0.500000  0.300000  0.477618  1
  H  H146  1  0.500000  0.300000  0.727618  1
  H  H147  1  0.500000  0.300000  0.977618  1
  H  H148  1  0.500000  0.500000  0.227618  1
  H  H149  1  0.500000  0.500000  0.477618  1
  H  H150  1  0.500000  0.500000  0.727618  1
  H  H151  1  0.500000  0.500000  0.977618  1
  H  H152  1  0.500000  0.700000  0.227618  1
  H  H153  1  0.500000  0.700000  0.477618  1
  H  H154  1  0.500000  0.700000  0.727618  1
  H  H155  1  0.500000  0.700000  0.977618  1
  H  H156  1  0.500000  0.900000  0.227618  1
  H  H157  1  0.500000  0.900000  0.477618  1
  H  H158  1  0.500000  0.900000  0.727618  1
  H  H159  1  0.500000  0.900000  0.977618  1
  H  H160  1  0.700000  0.100000  0.227618  1
  H  H161  1  0.700000  0.100000  0.477618  1
  H  H162  1  0.700000  0.100000  0.727618  1
  H  H163  1  0.700000  0.100000  0.977618  1
  H  H164  1  0.700000  0.300000  0.227618  1
  H  H165  1  0.700000  0.300000  0.477618  1
  H  H166  1  0.700000  0.300000  0.727618  1
  H  H167  1  0.700000  0.300000  0.977618  1
  H  H168  1  0.700000  0.500000  0.227618  1
  H  H169  1  0.700000  0.500000  0.477618  1
  H  H170  1  0.700000  0.500000  0.727618  1
  H  H171  1  0.700000  0.500000  0.977618  1
  H  H172  1  0.700000  0.700000  0.227618  1
  H  H173  1  0.700000  0.700000  0.477618  1
  H  H174  1  0.700000  0.700000  0.727618  1
  H  H175  1  0.700000  0.700000  0.977618  1
  H  H176  1  0.700000  0.900000  0.227618  1
  H  H177  1  0.700000  0.900000  0.477618  1
  H  H178  1  0.700000  0.900000  0.727618  1
  H  H179  1  0.700000  0.900000  0.977618  1
  H  H180  1  0.900000  0.100000  0.227618  1
  H  H181  1  0.900000  0.100000  0.477618  1
  H  H182  1  0.900000  0.100000  0.727618  1
  H  H183  1  0.900000  0.100000  0.977618  1
  H  H184  1  0.900000  0.300000  0.227618  1
  H  H185  1  0.900000  0.300000  0.477618  1
  H  H186  1  0.900000  0.300000  0.727618  1
  H  H187  1  0.900000  0.300000  0.977618  1
  H  H188  1  0.900000  0.500000  0.227618  1
  H  H189  1  0.900000  0.500000  0.477618  1
  H  H190  1  0.900000  0.500000  0.727618  1
  H  H191  1  0.900000  0.500000  0.977618  1
  H  H192  1  0.900000  0.700000  0.227618  1
  H  H193  1  0.900000  0.700000  0.477618  1
  H  H194  1  0.900000  0.700000  0.727618  1
  H  H195  1  0.900000  0.700000  0.977618  1
  H  H196  1  0.900000  0.900000  0.227618  1
  H  H197  1  0.900000  0.900000  0.477618  1
  H  H198  1  0.900000  0.900000  0.727618  1
  H  H199  1  0.900000  0.900000  0.977618  1
  H  H200  1  0.000000  0.000000  0.147382  1
  H  H201  1  0.000000  0.000000  0.397382  1
  H  H202  1  0.000000  0.000000  0.647382  1
  H  H203  1  1.000000  1.000000  0.897382  1
  H  H204  1  0.000000  0.200000  0.147382  1
  H  H205  1  0.000000  0.200000  0.397382  1
  H  H206  1  0.000000  0.200000  0.647382  1
  H  H207  1  1.000000  0.200000  0.897382  1
  H  H208  1  0.000000  0.400000  0.147382  1
  H  H209  1  0.000000  0.400000  0.397382  1
  H  H210  1  0.000000  0.400000  0.647382  1
  H  H211  1  0.000000  0.400000  0.897382  1
  H  H212  1  0.000000  0.600000  0.147382  1
  H  H213  1  0.000000  0.600000  0.397382  1
  H  H214  1  0.000000  0.600000  0.647382  1
  H  H215  1  0.000000  0.600000  0.897382  1
  H  H216  1  0.000000  0.800000  0.147382  1
  H  H217  1  0.000000  0.800000  0.397382  1
  H  H218  1  0.000000  0.800000  0.647382  1
  H  H219  1  0.000000  0.800000  0.897382  1
  H  H220  1  0.200000  0.000000  0.147382  1
  H  H221  1  0.200000  0.000000  0.397382  1
  H  H222  1  0.200000  0.000000  0.647382  1
  H  H223  1  0.200000  1.000000  0.897382  1
  H  H224  1  0.200000  0.200000  0.147382  1
  H  H225  1  0.200000  0.200000  0.397382  1
  H  H226  1  0.200000  0.200000  0.647382  1
  H  H227  1  0.200000  0.200000  0.897382  1
  H  H228  1  0.200000  0.400000  0.147382  1
  H  H229  1  0.200000  0.400000  0.397382  1
  H  H230  1  0.200000  0.400000  0.647382  1
  H  H231  1  0.200000  0.400000  0.897382  1
  H  H232  1  0.200000  0.600000  0.147382  1
  H  H233  1  0.200000  0.600000  0.397382  1
  H  H234  1  0.200000  0.600000  0.647382  1
  H  H235  1  0.200000  0.600000  0.897382  1
  H  H236  1  0.200000  0.800000  0.147382  1
  H  H237  1  0.200000  0.800000  0.397382  1
  H  H238  1  0.200000  0.800000  0.647382  1
  H  H239  1  0.200000  0.800000  0.897382  1
  H  H240  1  0.400000  0.000000  0.147382  1
  H  H241  1  0.400000  0.000000  0.397382  1
  H  H242  1  0.400000  0.000000  0.647382  1
  H  H243  1  0.400000  0.000000  0.897382  1
  H  H244  1  0.400000  0.200000  0.147382  1
  H  H245  1  0.400000  0.200000  0.397382  1
  H  H246  1  0.400000  0.200000  0.647382  1
  H  H247  1  0.400000  0.200000  0.897382  1
  H  H248  1  0.400000  0.400000  0.147382  1
  H  H249  1  0.400000  0.400000  0.397382  1
  H  H250  1  0.400000  0.400000  0.647382  1
  H  H251  1  0.400000  0.400000  0.897382  1
  H  H252  1  0.400000  0.600000  0.147382  1
  H  H253  1  0.400000  0.600000  0.397382  1
  H  H254  1  0.400000  0.600000  0.647382  1
  H  H255  1  0.400000  0.600000  0.897382  1
  H  H256  1  0.400000  0.800000  0.147382  1
  H  H257  1  0.400000  0.800000  0.397382  1
  H  H258  1  0.400000  0.800000  0.647382  1
  H  H259  1  0.400000  0.800000  0.897382  1
  H  H260  1  0.600000  0.000000  0.147382  1
  H  H261  1  0.600000  0.000000  0.397382  1
  H  H262  1  0.600000  0.000000  0.647382  1
  H  H263  1  0.600000  0.000000  0.897382  1
  H  H264  1  0.600000  0.200000  0.147382  1
  H  H265  1  0.600000  0.200000  0.397382  1
  H  H266  1  0.600000  0.200000  0.647382  1
  H  H267  1  0.600000  0.200000  0.897382  1
  H  H268  1  0.600000  0.400000  0.147382  1
  H  H269  1  0.600000  0.400000  0.397382  1
  H  H270  1  0.600000  0.400000  0.647382  1
  H  H271  1  0.600000  0.400000  0.897382  1
  H  H272  1  0.600000  0.600000  0.147382  1
  H  H273  1  0.600000  0.600000  0.397382  1
  H  H274  1  0.600000  0.600000  0.647382  1
  H  H275  1  0.600000  0.600000  0.897382  1
  H  H276  1  0.600000  0.800000  0.147382  1
  H  H277  1  0.600000  0.800000  0.397382  1
  H  H278  1  0.600000  0.800000  0.647382  1
  H  H279  1  0.600000  0.800000  0.897382  1
  H  H280  1  0.800000  0.000000  0.147382  1
  H  H281  1  0.800000  0.000000  0.397382  1
  H  H282  1  0.800000  0.000000  0.647382  1
  H  H283  1  0.800000  0.000000  0.897382  1
  H  H284  1  0.800000  0.200000  0.147382  1
  H  H285  1  0.800000  0.200000  0.397382  1
  H  H286  1  0.800000  0.200000  0.647382  1
  H  H287  1  0.800000  0.200000  0.897382  1
  H  H288  1  0.800000  0.400000  0.147382  1
  H  H289  1  0.800000  0.400000  0.397382  1
  H  H290  1  0.800000  0.400000  0.647382  1
  H  H291  1  0.800000  0.400000  0.897382  1
  H  H292  1  0.800000  0.600000  0.147382  1
  H  H293  1  0.800000  0.600000  0.397382  1
  H  H294  1  0.800000  0.600000  0.647382  1
  H  H295  1  0.800000  0.600000  0.897382  1
  H  H296  1  0.800000  0.800000  0.147382  1
  H  H297  1  0.800000  0.800000  0.397382  1
  H  H298  1  0.800000  0.800000  0.647382  1
  H  H299  1  0.800000  0.800000  0.897382  1
  H  H300  1  1.000000  1.000000  0.102618  1
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