# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.16658872
_cell_length_b   17.16658872
_cell_length_c   54.01341042
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H180
_cell_volume   15837.5209138
_cell_formula_units_Z   90
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  0.151515  0.484848  0.348485  1
  H  H2  1  0.484848  0.151515  0.348485  1
  H  H3  1  0.545455  0.545455  0.287879  1
  H  H4  1  0.818182  0.818182  0.348485  1
  H  H5  1  0.878788  0.212121  0.287879  1
  H  H6  1  0.848485  0.515152  0.318182  1
  H  H7  1  0.212121  0.878788  0.287879  1
  H  H8  1  0.181818  0.181818  0.318182  1
  H  H9  1  0.515152  0.848485  0.318182  1
  H  H10  1  0.015152  0.348485  0.318182  1
  H  H11  1  0.348485  0.015152  0.318182  1
  H  H12  1  0.318182  0.318182  0.348485  1
  H  H13  1  0.681818  0.681818  0.318182  1
  H  H14  1  0.651515  0.984848  0.348485  1
  H  H15  1  0.712121  0.378788  0.287879  1
  H  H16  1  0.984848  0.651515  0.348485  1
  H  H17  1  0.045455  0.045455  0.287879  1
  H  H18  1  0.378788  0.712121  0.287879  1
  H  H19  1  0.212121  0.378788  0.287879  1
  H  H20  1  0.545455  0.045455  0.287879  1
  H  H21  1  0.515152  0.348485  0.318182  1
  H  H22  1  0.878788  0.712121  0.287879  1
  H  H23  1  0.848485  0.015152  0.318182  1
  H  H24  1  0.818182  0.318182  0.348485  1
  H  H25  1  0.181818  0.681818  0.318182  1
  H  H26  1  0.151515  0.984848  0.348485  1
  H  H27  1  0.484848  0.651515  0.348485  1
  H  H28  1  0.045455  0.545455  0.287879  1
  H  H29  1  0.378788  0.212121  0.287879  1
  H  H30  1  0.348485  0.515152  0.318182  1
  H  H31  1  0.712121  0.878788  0.287879  1
  H  H32  1  0.681818  0.181818  0.318182  1
  H  H33  1  0.651515  0.484848  0.348485  1
  H  H34  1  0.015152  0.848485  0.318182  1
  H  H35  1  0.984848  0.151515  0.348485  1
  H  H36  1  0.318182  0.818182  0.348485  1
  H  H37  1  0.060606  0.393939  0.439394  1
  H  H38  1  0.393939  0.060606  0.439394  1
  H  H39  1  0.454545  0.454545  0.378788  1
  H  H40  1  0.727273  0.727273  0.439394  1
  H  H41  1  0.787879  0.121212  0.378788  1
  H  H42  1  0.757576  0.424242  0.409091  1
  H  H43  1  0.121212  0.787879  0.378788  1
  H  H44  1  0.090909  0.090909  0.409091  1
  H  H45  1  0.424242  0.757576  0.409091  1
  H  H46  1  0.924242  0.257576  0.409091  1
  H  H47  1  0.257576  0.924242  0.409091  1
  H  H48  1  0.227273  0.227273  0.439394  1
  H  H49  1  0.590909  0.590909  0.409091  1
  H  H50  1  0.560606  0.893939  0.439394  1
  H  H51  1  0.621212  0.287879  0.378788  1
  H  H52  1  0.893939  0.560606  0.439394  1
  H  H53  1  0.954545  0.954545  0.378788  1
  H  H54  1  0.287879  0.621212  0.378788  1
  H  H55  1  0.121212  0.287879  0.378788  1
  H  H56  1  0.454545  0.954545  0.378788  1
  H  H57  1  0.424242  0.257576  0.409091  1
  H  H58  1  0.787879  0.621212  0.378788  1
  H  H59  1  0.757576  0.924242  0.409091  1
  H  H60  1  0.727273  0.227273  0.439394  1
  H  H61  1  0.090909  0.590909  0.409091  1
  H  H62  1  0.060606  0.893939  0.439394  1
  H  H63  1  0.393939  0.560606  0.439394  1
  H  H64  1  0.954545  0.454545  0.378788  1
  H  H65  1  0.287879  0.121212  0.378788  1
  H  H66  1  0.257576  0.424242  0.409091  1
  H  H67  1  0.621212  0.787879  0.378788  1
  H  H68  1  0.590909  0.090909  0.409091  1
  H  H69  1  0.560606  0.393939  0.439394  1
  H  H70  1  0.924242  0.757576  0.409091  1
  H  H71  1  0.893939  0.060606  0.439394  1
  H  H72  1  0.227273  0.727273  0.439394  1
  H  H73  1  0.969697  0.303030  0.530303  1
  H  H74  1  0.303030  0.969697  0.530303  1
  H  H75  1  0.363636  0.363636  0.469697  1
  H  H76  1  0.636364  0.636364  0.530303  1
  H  H77  1  0.696970  0.030303  0.469697  1
  H  H78  1  0.666667  0.333333  0.500000  1
  H  H79  1  0.030303  0.696970  0.469697  1
  H  H80  1  0.000000  0.000000  0.500000  1
  H  H81  1  0.333333  0.666667  0.500000  1
  H  H82  1  0.833333  0.166667  0.500000  1
  H  H83  1  0.166667  0.833333  0.500000  1
  H  H84  1  0.136364  0.136364  0.530303  1
  H  H85  1  0.500000  0.500000  0.500000  1
  H  H86  1  0.469697  0.803030  0.530303  1
  H  H87  1  0.530303  0.196970  0.469697  1
  H  H88  1  0.803030  0.469697  0.530303  1
  H  H89  1  0.863636  0.863636  0.469697  1
  H  H90  1  0.196970  0.530303  0.469697  1
  H  H91  1  0.030303  0.196970  0.469697  1
  H  H92  1  0.363636  0.863636  0.469697  1
  H  H93  1  0.333333  0.166667  0.500000  1
  H  H94  1  0.696970  0.530303  0.469697  1
  H  H95  1  0.666667  0.833333  0.500000  1
  H  H96  1  0.636364  0.136364  0.530303  1
  H  H97  1  1.000000  0.500000  0.500000  1
  H  H98  1  0.969697  0.803030  0.530303  1
  H  H99  1  0.303030  0.469697  0.530303  1
  H  H100  1  0.863636  0.363636  0.469697  1
  H  H101  1  0.196970  0.030303  0.469697  1
  H  H102  1  0.166667  0.333333  0.500000  1
  H  H103  1  0.530303  0.696970  0.469697  1
  H  H104  1  0.500000  0.000000  0.500000  1
  H  H105  1  0.469697  0.303030  0.530303  1
  H  H106  1  0.833333  0.666667  0.500000  1
  H  H107  1  0.803030  0.969697  0.530303  1
  H  H108  1  0.136364  0.636364  0.530303  1
  H  H109  1  0.878788  0.212121  0.621212  1
  H  H110  1  0.212121  0.878788  0.621212  1
  H  H111  1  0.272727  0.272727  0.560606  1
  H  H112  1  0.545455  0.545455  0.621212  1
  H  H113  1  0.606061  0.939394  0.560606  1
  H  H114  1  0.575758  0.242424  0.590909  1
  H  H115  1  0.939394  0.606061  0.560606  1
  H  H116  1  0.909091  0.909091  0.590909  1
  H  H117  1  0.242424  0.575758  0.590909  1
  H  H118  1  0.742424  0.075758  0.590909  1
  H  H119  1  0.075758  0.742424  0.590909  1
  H  H120  1  0.045455  0.045455  0.621212  1
  H  H121  1  0.409091  0.409091  0.590909  1
  H  H122  1  0.378788  0.712121  0.621212  1
  H  H123  1  0.439394  0.106061  0.560606  1
  H  H124  1  0.712121  0.378788  0.621212  1
  H  H125  1  0.772727  0.772727  0.560606  1
  H  H126  1  0.106061  0.439394  0.560606  1
  H  H127  1  0.939394  0.106061  0.560606  1
  H  H128  1  0.272727  0.772727  0.560606  1
  H  H129  1  0.242424  0.075758  0.590909  1
  H  H130  1  0.606061  0.439394  0.560606  1
  H  H131  1  0.575758  0.742424  0.590909  1
  H  H132  1  0.545455  0.045455  0.621212  1
  H  H133  1  0.909091  0.409091  0.590909  1
  H  H134  1  0.878788  0.712121  0.621212  1
  H  H135  1  0.212121  0.378788  0.621212  1
  H  H136  1  0.772727  0.272727  0.560606  1
  H  H137  1  0.106061  0.939394  0.560606  1
  H  H138  1  0.075758  0.242424  0.590909  1
  H  H139  1  0.439394  0.606061  0.560606  1
  H  H140  1  0.409091  0.909091  0.590909  1
  H  H141  1  0.378788  0.212121  0.621212  1
  H  H142  1  0.742424  0.575758  0.590909  1
  H  H143  1  0.712121  0.878788  0.621212  1
  H  H144  1  0.045455  0.545455  0.621212  1
  H  H145  1  0.787879  0.121212  0.712121  1
  H  H146  1  0.121212  0.787879  0.712121  1
  H  H147  1  0.181818  0.181818  0.651515  1
  H  H148  1  0.454545  0.454545  0.712121  1
  H  H149  1  0.515152  0.848485  0.651515  1
  H  H150  1  0.484848  0.151515  0.681818  1
  H  H151  1  0.848485  0.515152  0.651515  1
  H  H152  1  0.818182  0.818182  0.681818  1
  H  H153  1  0.151515  0.484848  0.681818  1
  H  H154  1  0.651515  0.984848  0.681818  1
  H  H155  1  0.984848  0.651515  0.681818  1
  H  H156  1  0.954545  0.954545  0.712121  1
  H  H157  1  0.318182  0.318182  0.681818  1
  H  H158  1  0.287879  0.621212  0.712121  1
  H  H159  1  0.348485  0.015152  0.651515  1
  H  H160  1  0.621212  0.287879  0.712121  1
  H  H161  1  0.681818  0.681818  0.651515  1
  H  H162  1  0.015152  0.348485  0.651515  1
  H  H163  1  0.848485  0.015152  0.651515  1
  H  H164  1  0.181818  0.681818  0.651515  1
  H  H165  1  0.151515  0.984848  0.681818  1
  H  H166  1  0.515152  0.348485  0.651515  1
  H  H167  1  0.484848  0.651515  0.681818  1
  H  H168  1  0.454545  0.954545  0.712121  1
  H  H169  1  0.818182  0.318182  0.681818  1
  H  H170  1  0.787879  0.621212  0.712121  1
  H  H171  1  0.121212  0.287879  0.712121  1
  H  H172  1  0.681818  0.181818  0.651515  1
  H  H173  1  0.015152  0.848485  0.651515  1
  H  H174  1  0.984848  0.151515  0.681818  1
  H  H175  1  0.348485  0.515152  0.651515  1
  H  H176  1  0.318182  0.818182  0.681818  1
  H  H177  1  0.287879  0.121212  0.712121  1
  H  H178  1  0.651515  0.484848  0.681818  1
  H  H179  1  0.621212  0.787879  0.712121  1
  H  H180  1  0.954545  0.454545  0.712121  1
