# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.83218305
_cell_length_b   10.41989379
_cell_length_c   47.07803328
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   49.41689740
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H192
_cell_volume   5153.22452434
_cell_formula_units_Z   96
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  0.258775  0.028270  0.318080  1
  H  H2  1  0.758775  0.028270  0.318080  1
  H  H3  1  0.200824  0.646521  0.353795  1
  H  H4  1  0.700824  0.646521  0.353795  1
  H  H5  1  0.963165  0.371340  0.346189  1
  H  H6  1  0.463165  0.371340  0.346189  1
  H  H7  1  0.021115  0.753089  0.310475  1
  H  H8  1  0.521115  0.753089  0.310475  1
  H  H9  1  0.493727  0.757163  0.296667  1
  H  H10  1  0.993727  0.757163  0.296667  1
  H  H11  1  0.435777  0.375413  0.332381  1
  H  H12  1  0.935777  0.375413  0.332381  1
  H  H13  1  0.198117  0.100232  0.324776  1
  H  H14  1  0.698117  0.100232  0.324776  1
  H  H15  1  0.256068  0.481982  0.289061  1
  H  H16  1  0.756068  0.481982  0.289061  1
  H  H17  1  0.950824  0.646521  0.353795  1
  H  H18  1  0.450824  0.646521  0.353795  1
  H  H19  1  0.008775  0.028270  0.318080  1
  H  H20  1  0.508775  0.028270  0.318080  1
  H  H21  1  0.213165  0.371340  0.346189  1
  H  H22  1  0.713165  0.371340  0.346189  1
  H  H23  1  0.271115  0.753089  0.310475  1
  H  H24  1  0.771115  0.753089  0.310475  1
  H  H25  1  0.185777  0.375413  0.332381  1
  H  H26  1  0.685777  0.375413  0.332381  1
  H  H27  1  0.243727  0.757163  0.296667  1
  H  H28  1  0.743727  0.757163  0.296667  1
  H  H29  1  0.448117  0.100232  0.324776  1
  H  H30  1  0.948117  0.100232  0.324776  1
  H  H31  1  0.506068  0.481982  0.289061  1
  H  H32  1  0.006068  0.481982  0.289061  1
  H  H33  1  0.142874  0.264771  0.389509  1
  H  H34  1  0.642874  0.264771  0.389509  1
  H  H35  1  0.084924  0.883021  0.425223  1
  H  H36  1  0.584924  0.883021  0.425223  1
  H  H37  1  0.847264  0.607840  0.417618  1
  H  H38  1  0.347264  0.607840  0.417618  1
  H  H39  1  0.905214  0.989590  0.381904  1
  H  H40  1  0.405214  0.989590  0.381904  1
  H  H41  1  0.377826  0.993663  0.368095  1
  H  H42  1  0.877826  0.993663  0.368095  1
  H  H43  1  0.319876  0.611914  0.403809  1
  H  H44  1  0.819876  0.611914  0.403809  1
  H  H45  1  0.082217  0.336732  0.396204  1
  H  H46  1  0.582217  0.336732  0.396204  1
  H  H47  1  0.140167  0.718482  0.360490  1
  H  H48  1  0.640167  0.718482  0.360490  1
  H  H49  1  0.834924  0.883021  0.425223  1
  H  H50  1  0.334924  0.883021  0.425223  1
  H  H51  1  0.892874  0.264771  0.389509  1
  H  H52  1  0.392874  0.264771  0.389509  1
  H  H53  1  0.097264  0.607840  0.417618  1
  H  H54  1  0.597264  0.607840  0.417618  1
  H  H55  1  0.155214  0.989590  0.381904  1
  H  H56  1  0.655214  0.989590  0.381904  1
  H  H57  1  0.069876  0.611914  0.403809  1
  H  H58  1  0.569876  0.611914  0.403809  1
  H  H59  1  0.127826  0.993663  0.368095  1
  H  H60  1  0.627826  0.993663  0.368095  1
  H  H61  1  0.332217  0.336732  0.396204  1
  H  H62  1  0.832217  0.336732  0.396204  1
  H  H63  1  0.390167  0.718482  0.360490  1
  H  H64  1  0.890167  0.718482  0.360490  1
  H  H65  1  0.026973  0.501271  0.460938  1
  H  H66  1  0.526973  0.501271  0.460938  1
  H  H67  1  0.969023  0.119522  0.496652  1
  H  H68  1  0.469023  0.119522  0.496652  1
  H  H69  1  0.731363  0.844340  0.489047  1
  H  H70  1  0.231363  0.844340  0.489047  1
  H  H71  1  0.789314  0.226090  0.453332  1
  H  H72  1  0.289314  0.226090  0.453332  1
  H  H73  1  0.261926  0.230164  0.439524  1
  H  H74  1  0.761926  0.230164  0.439524  1
  H  H75  1  0.203975  0.848414  0.475238  1
  H  H76  1  0.703975  0.848414  0.475238  1
  H  H77  1  0.966316  0.573233  0.467633  1
  H  H78  1  0.466316  0.573233  0.467633  1
  H  H79  1  0.024266  0.954983  0.431918  1
  H  H80  1  0.524266  0.954983  0.431918  1
  H  H81  1  0.719023  0.119522  0.496652  1
  H  H82  1  0.219023  0.119522  0.496652  1
  H  H83  1  0.776973  0.501271  0.460938  1
  H  H84  1  0.276973  0.501271  0.460938  1
  H  H85  1  0.981363  0.844340  0.489047  1
  H  H86  1  0.481363  0.844340  0.489047  1
  H  H87  1  0.039314  0.226090  0.453332  1
  H  H88  1  0.539314  0.226090  0.453332  1
  H  H89  1  0.953975  0.848414  0.475238  1
  H  H90  1  0.453975  0.848414  0.475238  1
  H  H91  1  0.011926  0.230164  0.439524  1
  H  H92  1  0.511926  0.230164  0.439524  1
  H  H93  1  0.216316  0.573233  0.467633  1
  H  H94  1  0.716316  0.573233  0.467633  1
  H  H95  1  0.274266  0.954983  0.431918  1
  H  H96  1  0.774266  0.954983  0.431918  1
  H  H97  1  0.911073  0.737772  0.532366  1
  H  H98  1  0.411073  0.737772  0.532366  1
  H  H99  1  0.853122  0.356022  0.568080  1
  H  H100  1  0.353122  0.356022  0.568080  1
  H  H101  1  0.615463  0.080841  0.560475  1
  H  H102  1  0.115463  0.080841  0.560475  1
  H  H103  1  0.673413  0.462591  0.524761  1
  H  H104  1  0.173413  0.462591  0.524761  1
  H  H105  1  0.146025  0.466664  0.510952  1
  H  H106  1  0.646025  0.466664  0.510952  1
  H  H107  1  0.088075  0.084914  0.546667  1
  H  H108  1  0.588075  0.084914  0.546667  1
  H  H109  1  0.850415  0.809733  0.539061  1
  H  H110  1  0.350415  0.809733  0.539061  1
  H  H111  1  0.908366  0.191483  0.503347  1
  H  H112  1  0.408366  0.191483  0.503347  1
  H  H113  1  0.603122  0.356022  0.568080  1
  H  H114  1  0.103122  0.356022  0.568080  1
  H  H115  1  0.661073  0.737772  0.532366  1
  H  H116  1  0.161073  0.737772  0.532366  1
  H  H117  1  0.865463  0.080841  0.560475  1
  H  H118  1  0.365463  0.080841  0.560475  1
  H  H119  1  0.923413  0.462591  0.524761  1
  H  H120  1  0.423413  0.462591  0.524761  1
  H  H121  1  0.838075  0.084914  0.546667  1
  H  H122  1  0.338075  0.084914  0.546667  1
  H  H123  1  0.896025  0.466664  0.510952  1
  H  H124  1  0.396025  0.466664  0.510952  1
  H  H125  1  0.100415  0.809733  0.539061  1
  H  H126  1  0.600415  0.809733  0.539061  1
  H  H127  1  0.158366  0.191483  0.503347  1
  H  H128  1  0.658366  0.191483  0.503347  1
  H  H129  1  0.795172  0.974272  0.603795  1
  H  H130  1  0.295172  0.974272  0.603795  1
  H  H131  1  0.737222  0.592522  0.639509  1
  H  H132  1  0.237222  0.592522  0.639509  1
  H  H133  1  0.499562  0.317341  0.631904  1
  H  H134  1  0.999562  0.317341  0.631904  1
  H  H135  1  0.557512  0.699091  0.596189  1
  H  H136  1  0.057512  0.699091  0.596189  1
  H  H137  1  0.030124  0.703165  0.582381  1
  H  H138  1  0.530124  0.703165  0.582381  1
  H  H139  1  0.972174  0.321415  0.618095  1
  H  H140  1  0.472174  0.321415  0.618095  1
  H  H141  1  0.734515  0.046234  0.610490  1
  H  H142  1  0.234515  0.046234  0.610490  1
  H  H143  1  0.792465  0.427984  0.574776  1
  H  H144  1  0.292465  0.427984  0.574776  1
  H  H145  1  0.487222  0.592522  0.639509  1
  H  H146  1  0.987222  0.592522  0.639509  1
  H  H147  1  0.545172  0.974272  0.603795  1
  H  H148  1  0.045172  0.974272  0.603795  1
  H  H149  1  0.749562  0.317341  0.631904  1
  H  H150  1  0.249562  0.317341  0.631904  1
  H  H151  1  0.807512  0.699091  0.596189  1
  H  H152  1  0.307512  0.699091  0.596189  1
  H  H153  1  0.722174  0.321415  0.618095  1
  H  H154  1  0.222174  0.321415  0.618095  1
  H  H155  1  0.780124  0.703165  0.582381  1
  H  H156  1  0.280124  0.703165  0.582381  1
  H  H157  1  0.984515  0.046234  0.610490  1
  H  H158  1  0.484515  0.046234  0.610490  1
  H  H159  1  0.042465  0.427984  0.574776  1
  H  H160  1  0.542465  0.427984  0.574776  1
  H  H161  1  0.679271  0.210773  0.675223  1
  H  H162  1  0.179271  0.210773  0.675223  1
  H  H163  1  0.621321  0.829023  0.710938  1
  H  H164  1  0.121321  0.829023  0.710938  1
  H  H165  1  0.383661  0.553842  0.703332  1
  H  H166  1  0.883661  0.553842  0.703332  1
  H  H167  1  0.441612  0.935592  0.667618  1
  H  H168  1  0.941612  0.935592  0.667618  1
  H  H169  1  0.914224  0.939665  0.653809  1
  H  H170  1  0.414224  0.939665  0.653809  1
  H  H171  1  0.856273  0.557915  0.689524  1
  H  H172  1  0.356273  0.557915  0.689524  1
  H  H173  1  0.618614  0.282734  0.681918  1
  H  H174  1  0.118614  0.282734  0.681918  1
  H  H175  1  0.676564  0.664484  0.646204  1
  H  H176  1  0.176564  0.664484  0.646204  1
  H  H177  1  0.371321  0.829023  0.710938  1
  H  H178  1  0.871321  0.829023  0.710938  1
  H  H179  1  0.429271  0.210773  0.675223  1
  H  H180  1  0.929271  0.210773  0.675223  1
  H  H181  1  0.633661  0.553842  0.703332  1
  H  H182  1  0.133661  0.553842  0.703332  1
  H  H183  1  0.691612  0.935592  0.667618  1
  H  H184  1  0.191612  0.935592  0.667618  1
  H  H185  1  0.606273  0.557915  0.689524  1
  H  H186  1  0.106273  0.557915  0.689524  1
  H  H187  1  0.664224  0.939665  0.653809  1
  H  H188  1  0.164224  0.939665  0.653809  1
  H  H189  1  0.868614  0.282734  0.681918  1
  H  H190  1  0.368614  0.282734  0.681918  1
  H  H191  1  0.926564  0.664484  0.646204  1
  H  H192  1  0.426564  0.664484  0.646204  1
