# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.12252068
_cell_length_b   10.10041941
_cell_length_c   45.80657180
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.42474272
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   5564.59767126
_cell_formula_units_Z   108
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  0.163297  0.470173  0.286453  1
  H  H2  1  0.800653  0.398764  0.303120  1
  H  H3  1  0.163297  0.970173  0.286453  1
  H  H4  1  0.438010  0.327356  0.319786  1
  H  H5  1  0.800653  0.898764  0.303120  1
  H  H6  1  0.438010  0.827356  0.319786  1
  H  H7  1  0.144712  0.530575  0.297021  1
  H  H8  1  0.782068  0.459166  0.313688  1
  H  H9  1  0.144712  0.030575  0.297021  1
  H  H10  1  0.507356  0.101980  0.280354  1
  H  H11  1  0.782068  0.959166  0.313688  1
  H  H12  1  0.507356  0.601980  0.280354  1
  H  H13  1  0.300653  0.148764  0.303120  1
  H  H14  1  0.938010  0.077356  0.319786  1
  H  H15  1  0.300653  0.648764  0.303120  1
  H  H16  1  0.663297  0.720173  0.286453  1
  H  H17  1  0.938010  0.577356  0.319786  1
  H  H18  1  0.663297  0.220173  0.286453  1
  H  H19  1  0.282068  0.209166  0.313688  1
  H  H20  1  0.007356  0.851980  0.280354  1
  H  H21  1  0.282068  0.709166  0.313688  1
  H  H22  1  0.644712  0.780575  0.297021  1
  H  H23  1  0.007356  0.351980  0.280354  1
  H  H24  1  0.644712  0.280575  0.297021  1
  H  H25  1  0.075367  0.755947  0.336453  1
  H  H26  1  0.712723  0.684538  0.353119  1
  H  H27  1  0.075367  0.255947  0.336453  1
  H  H28  1  0.350080  0.613129  0.369786  1
  H  H29  1  0.712723  0.184538  0.353119  1
  H  H30  1  0.350080  0.113129  0.369786  1
  H  H31  1  0.056781  0.816348  0.347021  1
  H  H32  1  0.694138  0.744939  0.363687  1
  H  H33  1  0.056781  0.316348  0.347021  1
  H  H34  1  0.419425  0.387757  0.330354  1
  H  H35  1  0.694138  0.244939  0.363687  1
  H  H36  1  0.419425  0.887757  0.330354  1
  H  H37  1  0.212723  0.434538  0.353119  1
  H  H38  1  0.850080  0.363129  0.369786  1
  H  H39  1  0.212723  0.934538  0.353119  1
  H  H40  1  0.575367  0.005947  0.336453  1
  H  H41  1  0.850080  0.863129  0.369786  1
  H  H42  1  0.575367  0.505947  0.336453  1
  H  H43  1  0.194138  0.494939  0.363687  1
  H  H44  1  0.919425  0.137757  0.330354  1
  H  H45  1  0.194138  0.994939  0.363687  1
  H  H46  1  0.556781  0.066348  0.347021  1
  H  H47  1  0.919425  0.637757  0.330354  1
  H  H48  1  0.556781  0.566348  0.347021  1
  H  H49  1  0.987436  0.041721  0.386453  1
  H  H50  1  0.624793  0.970312  0.403119  1
  H  H51  1  0.987436  0.541721  0.386453  1
  H  H52  1  0.262149  0.898903  0.419786  1
  H  H53  1  0.624793  0.470312  0.403119  1
  H  H54  1  0.262149  0.398903  0.419786  1
  H  H55  1  0.968851  0.102122  0.397021  1
  H  H56  1  0.606208  0.030713  0.413687  1
  H  H57  1  0.968851  0.602122  0.397021  1
  H  H58  1  0.331495  0.673531  0.380354  1
  H  H59  1  0.606208  0.530713  0.413687  1
  H  H60  1  0.331495  0.173531  0.380354  1
  H  H61  1  0.124793  0.720312  0.403119  1
  H  H62  1  0.762149  0.648903  0.419786  1
  H  H63  1  0.124793  0.220312  0.403119  1
  H  H64  1  0.487436  0.291721  0.386453  1
  H  H65  1  0.762149  0.148903  0.419786  1
  H  H66  1  0.487436  0.791721  0.386453  1
  H  H67  1  0.106208  0.780713  0.413687  1
  H  H68  1  0.831495  0.423531  0.380354  1
  H  H69  1  0.106208  0.280713  0.413687  1
  H  H70  1  0.468851  0.352122  0.397021  1
  H  H71  1  0.831495  0.923531  0.380354  1
  H  H72  1  0.468851  0.852122  0.397021  1
  H  H73  1  0.899506  0.327494  0.436453  1
  H  H74  1  0.536862  0.256086  0.453119  1
  H  H75  1  0.899506  0.827494  0.436453  1
  H  H76  1  0.174219  0.184677  0.469786  1
  H  H77  1  0.536862  0.756086  0.453119  1
  H  H78  1  0.174219  0.684677  0.469786  1
  H  H79  1  0.880921  0.387896  0.447021  1
  H  H80  1  0.518277  0.316487  0.463687  1
  H  H81  1  0.880921  0.887896  0.447021  1
  H  H82  1  0.243564  0.959305  0.430354  1
  H  H83  1  0.518277  0.816487  0.463687  1
  H  H84  1  0.243564  0.459305  0.430354  1
  H  H85  1  0.036862  0.006086  0.453119  1
  H  H86  1  0.674219  0.934677  0.469786  1
  H  H87  1  0.036862  0.506086  0.453119  1
  H  H88  1  0.399506  0.577494  0.436453  1
  H  H89  1  0.674219  0.434677  0.469786  1
  H  H90  1  0.399506  0.077494  0.436453  1
  H  H91  1  0.018277  0.066487  0.463687  1
  H  H92  1  0.743564  0.709305  0.430354  1
  H  H93  1  0.018277  0.566487  0.463687  1
  H  H94  1  0.380921  0.637896  0.447021  1
  H  H95  1  0.743564  0.209305  0.430354  1
  H  H96  1  0.380921  0.137896  0.447021  1
  H  H97  1  0.811575  0.613268  0.486453  1
  H  H98  1  0.448932  0.541860  0.503119  1
  H  H99  1  0.811575  0.113268  0.486453  1
  H  H100  1  0.086288  0.470451  0.519786  1
  H  H101  1  0.448932  0.041860  0.503119  1
  H  H102  1  0.086288  0.970451  0.519786  1
  H  H103  1  0.792990  0.673670  0.497021  1
  H  H104  1  0.430347  0.602261  0.513687  1
  H  H105  1  0.792990  0.173670  0.497021  1
  H  H106  1  0.155634  0.245079  0.480354  1
  H  H107  1  0.430347  0.102261  0.513687  1
  H  H108  1  0.155634  0.745079  0.480354  1
  H  H109  1  0.948932  0.291860  0.503119  1
  H  H110  1  0.586288  0.220451  0.519786  1
  H  H111  1  0.948932  0.791860  0.503119  1
  H  H112  1  0.311575  0.863268  0.486453  1
  H  H113  1  0.586288  0.720451  0.519786  1
  H  H114  1  0.311575  0.363268  0.486453  1
  H  H115  1  0.930347  0.352261  0.513687  1
  H  H116  1  0.655634  0.995079  0.480354  1
  H  H117  1  0.930347  0.852261  0.513687  1
  H  H118  1  0.292990  0.923670  0.497021  1
  H  H119  1  0.655634  0.495079  0.480354  1
  H  H120  1  0.292990  0.423670  0.497021  1
  H  H121  1  0.723645  0.899042  0.536453  1
  H  H122  1  0.361001  0.827634  0.553119  1
  H  H123  1  0.723645  0.399042  0.536453  1
  H  H124  1  0.998358  0.756225  0.569786  1
  H  H125  1  0.361001  0.327634  0.553119  1
  H  H126  1  0.998358  0.256225  0.569786  1
  H  H127  1  0.705060  0.959444  0.547021  1
  H  H128  1  0.342416  0.888035  0.563687  1
  H  H129  1  0.705060  0.459444  0.547021  1
  H  H130  1  0.067703  0.530852  0.530354  1
  H  H131  1  0.342416  0.388035  0.563687  1
  H  H132  1  0.067703  0.030852  0.530354  1
  H  H133  1  0.861001  0.577634  0.553119  1
  H  H134  1  0.498358  0.506225  0.569786  1
  H  H135  1  0.861001  0.077634  0.553119  1
  H  H136  1  0.223645  0.149042  0.536453  1
  H  H137  1  0.498358  0.006225  0.569786  1
  H  H138  1  0.223645  0.649042  0.536453  1
  H  H139  1  0.842416  0.638035  0.563687  1
  H  H140  1  0.567703  0.280852  0.530354  1
  H  H141  1  0.842416  0.138035  0.563687  1
  H  H142  1  0.205060  0.209444  0.547021  1
  H  H143  1  0.567703  0.780852  0.530354  1
  H  H144  1  0.205060  0.709444  0.547021  1
  H  H145  1  0.635714  0.184816  0.586453  1
  H  H146  1  0.273071  0.113407  0.603119  1
  H  H147  1  0.635714  0.684816  0.586453  1
  H  H148  1  0.910427  0.041999  0.619786  1
  H  H149  1  0.273071  0.613407  0.603119  1
  H  H150  1  0.910427  0.541999  0.619786  1
  H  H151  1  0.617129  0.245218  0.597021  1
  H  H152  1  0.254486  0.173809  0.613687  1
  H  H153  1  0.617129  0.745218  0.597021  1
  H  H154  1  0.979773  0.816626  0.580354  1
  H  H155  1  0.254486  0.673809  0.613687  1
  H  H156  1  0.979773  0.316626  0.580354  1
  H  H157  1  0.773071  0.863407  0.603119  1
  H  H158  1  0.410427  0.791999  0.619786  1
  H  H159  1  0.773071  0.363407  0.603119  1
  H  H160  1  0.135714  0.434816  0.586453  1
  H  H161  1  0.410427  0.291999  0.619786  1
  H  H162  1  0.135714  0.934816  0.586453  1
  H  H163  1  0.754486  0.923809  0.613687  1
  H  H164  1  0.479773  0.566626  0.580354  1
  H  H165  1  0.754486  0.423809  0.613687  1
  H  H166  1  0.117129  0.495218  0.597021  1
  H  H167  1  0.479773  0.066626  0.580354  1
  H  H168  1  0.117129  0.995218  0.597021  1
  H  H169  1  0.547784  0.470590  0.636453  1
  H  H170  1  0.185141  0.399181  0.653119  1
  H  H171  1  0.547784  0.970590  0.636453  1
  H  H172  1  0.822497  0.327772  0.669786  1
  H  H173  1  0.185141  0.899181  0.653119  1
  H  H174  1  0.822497  0.827772  0.669786  1
  H  H175  1  0.529199  0.530991  0.647021  1
  H  H176  1  0.166555  0.459583  0.663687  1
  H  H177  1  0.529199  0.030991  0.647021  1
  H  H178  1  0.891842  0.102400  0.630354  1
  H  H179  1  0.166555  0.959583  0.663687  1
  H  H180  1  0.891842  0.602400  0.630354  1
  H  H181  1  0.685141  0.149181  0.653119  1
  H  H182  1  0.322497  0.077772  0.669786  1
  H  H183  1  0.685141  0.649181  0.653119  1
  H  H184  1  0.047784  0.720590  0.636453  1
  H  H185  1  0.322497  0.577772  0.669786  1
  H  H186  1  0.047784  0.220590  0.636453  1
  H  H187  1  0.666555  0.209583  0.663687  1
  H  H188  1  0.391842  0.852400  0.630354  1
  H  H189  1  0.666555  0.709583  0.663687  1
  H  H190  1  0.029199  0.780991  0.647021  1
  H  H191  1  0.391842  0.352400  0.630354  1
  H  H192  1  0.029199  0.280991  0.647021  1
  H  H193  1  0.459854  0.756364  0.686453  1
  H  H194  1  0.097210  0.684955  0.703119  1
  H  H195  1  0.459854  0.256364  0.686453  1
  H  H196  1  0.734566  0.613549  0.719787  1
  H  H197  1  0.097210  0.184955  0.703119  1
  H  H198  1  0.734566  0.113549  0.719787  1
  H  H199  1  0.441269  0.816765  0.697021  1
  H  H200  1  0.078625  0.745356  0.713687  1
  H  H201  1  0.441269  0.316765  0.697021  1
  H  H202  1  0.803912  0.388174  0.680354  1
  H  H203  1  0.078625  0.245356  0.713687  1
  H  H204  1  0.803912  0.888174  0.680354  1
  H  H205  1  0.597210  0.434955  0.703119  1
  H  H206  1  0.234566  0.363549  0.719787  1
  H  H207  1  0.597210  0.934955  0.703119  1
  H  H208  1  0.959854  0.006364  0.686453  1
  H  H209  1  0.234566  0.863549  0.719787  1
  H  H210  1  0.959854  0.506364  0.686453  1
  H  H211  1  0.578625  0.495356  0.713687  1
  H  H212  1  0.303912  0.138174  0.680354  1
  H  H213  1  0.578625  0.995356  0.713687  1
  H  H214  1  0.941269  0.066765  0.697021  1
  H  H215  1  0.303912  0.638174  0.680354  1
  H  H216  1  0.941269  0.566765  0.697021  1
