# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.00342637
_cell_length_b   8.91545532
_cell_length_c   47.69542212
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.86935337
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H176
_cell_volume   3728.39708825
_cell_formula_units_Z   88
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  0.674561  0.933336  0.267578  1
  H  H2  1  0.174561  0.933336  0.267578  1
  H  H3  1  0.739519  0.180220  0.271042  1
  H  H4  1  0.239519  0.180220  0.271042  1
  H  H5  1  0.578802  0.330543  0.305061  1
  H  H6  1  1.078802  0.330543  0.305061  1
  H  H7  1  0.511602  0.590964  0.300165  1
  H  H8  1  1.011602  0.590964  0.300165  1
  H  H9  1  0.424561  0.933336  0.267578  1
  H  H10  1  0.924561  0.933336  0.267578  1
  H  H11  1  0.489519  0.180220  0.271042  1
  H  H12  1  0.989519  0.180220  0.271042  1
  H  H13  1  0.328802  0.330543  0.305061  1
  H  H14  1  0.828802  0.330543  0.305061  1
  H  H15  1  0.261602  0.590964  0.300165  1
  H  H16  1  0.761602  0.590964  0.300165  1
  H  H17  1  0.577115  0.827715  0.306004  1
  H  H18  1  1.077115  0.827715  0.306004  1
  H  H19  1  0.642055  0.067357  0.309830  1
  H  H20  1  1.142055  0.067357  0.309830  1
  H  H21  1  0.480622  0.216732  0.343661  1
  H  H22  1  0.980622  0.216732  0.343661  1
  H  H23  1  0.415244  0.477353  0.339817  1
  H  H24  1  0.915244  0.477353  0.339817  1
  H  H25  1  0.327115  0.827715  0.306004  1
  H  H26  1  0.827115  0.827715  0.306004  1
  H  H27  1  0.392055  0.067357  0.309830  1
  H  H28  1  0.892055  0.067357  0.309830  1
  H  H29  1  0.230622  0.216732  0.343661  1
  H  H30  1  0.730622  0.216732  0.343661  1
  H  H31  1  0.165244  0.477353  0.339817  1
  H  H32  1  0.665244  0.477353  0.339817  1
  H  H33  1  0.480984  0.714046  0.343797  1
  H  H34  1  0.980984  0.714046  0.343797  1
  H  H35  1  0.544887  0.954527  0.347812  1
  H  H36  1  1.044887  0.954527  0.347812  1
  H  H37  1  0.383134  0.103400  0.382139  1
  H  H38  1  0.883134  0.103400  0.382139  1
  H  H39  1  0.318219  0.362651  0.378503  1
  H  H40  1  0.818219  0.362651  0.378503  1
  H  H41  1  0.230984  0.714046  0.343797  1
  H  H42  1  0.730984  0.714046  0.343797  1
  H  H43  1  0.294887  0.954527  0.347812  1
  H  H44  1  0.794887  0.954527  0.347812  1
  H  H45  1  1.133134  0.103400  0.382139  1
  H  H46  1  0.633134  0.103400  0.382139  1
  H  H47  1  1.068219  0.362651  0.378503  1
  H  H48  1  0.568219  0.362651  0.378503  1
  H  H49  1  0.382870  0.600609  0.382065  1
  H  H50  1  0.882870  0.600609  0.382065  1
  H  H51  1  0.449230  0.840395  0.385712  1
  H  H52  1  0.949230  0.840395  0.385712  1
  H  H53  1  0.287196  -0.010265  0.420126  1
  H  H54  1  0.787196  -0.010265  0.420126  1
  H  H55  1  0.218147  0.248472  0.417841  1
  H  H56  1  0.718147  0.248472  0.417841  1
  H  H57  1  1.132870  0.600609  0.382065  1
  H  H58  1  0.632870  0.600609  0.382065  1
  H  H59  1  0.199230  0.840395  0.385712  1
  H  H60  1  0.699230  0.840395  0.385712  1
  H  H61  1  1.037196  -0.010265  0.420126  1
  H  H62  1  0.537196  -0.010265  0.420126  1
  H  H63  1  0.968147  0.248472  0.417841  1
  H  H64  1  0.468147  0.248472  0.417841  1
  H  H65  1  0.530390  0.486146  0.420805  1
  H  H66  1  1.030390  0.486146  0.420805  1
  H  H67  1  0.605479  0.727021  0.423797  1
  H  H68  1  1.105479  0.727021  0.423797  1
  H  H69  1  0.204187  0.876771  0.457978  1
  H  H70  1  0.704187  0.876771  0.457978  1
  H  H71  1  0.347049  0.130717  0.457549  1
  H  H72  1  0.847049  0.130717  0.457549  1
  H  H73  1  0.280390  0.486146  0.420805  1
  H  H74  1  0.780390  0.486146  0.420805  1
  H  H75  1  0.355479  0.727021  0.423797  1
  H  H76  1  0.855479  0.727021  0.423797  1
  H  H77  1  0.954187  0.876771  0.457978  1
  H  H78  1  0.454187  0.876771  0.457978  1
  H  H79  1  1.097049  0.130717  0.457549  1
  H  H80  1  0.597049  0.130717  0.457549  1
  H  H81  1  0.406722  0.368503  0.460549  1
  H  H82  1  0.906722  0.368503  0.460549  1
  H  H83  1  0.511735  0.614930  0.461837  1
  H  H84  1  1.011735  0.614930  0.461837  1
  H  H85  1  1.121519  0.766667  0.496118  1
  H  H86  1  0.621519  0.766667  0.496118  1
  H  H87  1  0.226532  0.013094  0.497407  1
  H  H88  1  0.726532  0.013094  0.497407  1
  H  H89  1  1.156722  0.368503  0.460549  1
  H  H90  1  0.656722  0.368503  0.460549  1
  H  H91  1  0.261735  0.614930  0.461837  1
  H  H92  1  0.761735  0.614930  0.461837  1
  H  H93  1  0.871519  0.766667  0.496118  1
  H  H94  1  0.371519  0.766667  0.496118  1
  H  H95  1  0.976532  0.013094  0.497407  1
  H  H96  1  0.476532  0.013094  0.497407  1
  H  H97  1  0.286205  0.250880  0.500406  1
  H  H98  1  0.786205  0.250880  0.500406  1
  H  H99  1  0.429066  0.504826  0.499977  1
  H  H100  1  0.929066  0.504826  0.499977  1
  H  H101  1  1.027775  0.654576  0.534159  1
  H  H102  1  0.527775  0.654576  0.534159  1
  H  H103  1  1.102863  0.895451  0.537151  1
  H  H104  1  0.602863  0.895451  0.537151  1
  H  H105  1  1.036205  0.250880  0.500406  1
  H  H106  1  0.536205  0.250880  0.500406  1
  H  H107  1  0.179066  0.504826  0.499977  1
  H  H108  1  0.679066  0.504826  0.499977  1
  H  H109  1  0.777775  0.654576  0.534159  1
  H  H110  1  0.277775  0.654576  0.534159  1
  H  H111  1  0.852863  0.895451  0.537151  1
  H  H112  1  0.352863  0.895451  0.537151  1
  H  H113  1  0.415107  0.133125  0.540114  1
  H  H114  1  0.915107  0.133125  0.540114  1
  H  H115  1  0.346057  0.391862  0.537829  1
  H  H116  1  0.846057  0.391862  0.537829  1
  H  H117  1  0.184024  0.541202  0.572244  1
  H  H118  1  0.684024  0.541202  0.572244  1
  H  H119  1  0.250384  0.780988  0.575891  1
  H  H120  1  0.750384  0.780988  0.575891  1
  H  H121  1  0.165107  0.133125  0.540114  1
  H  H122  1  0.665107  0.133125  0.540114  1
  H  H123  1  1.096057  0.391862  0.537829  1
  H  H124  1  0.596057  0.391862  0.537829  1
  H  H125  1  0.934024  0.541202  0.572244  1
  H  H126  1  0.434024  0.541202  0.572244  1
  H  H127  1  1.000384  0.780988  0.575891  1
  H  H128  1  0.500384  0.780988  0.575891  1
  H  H129  1  0.315035  0.018946  0.579452  1
  H  H130  1  0.815035  0.018946  0.579452  1
  H  H131  1  0.250119  0.278197  0.575817  1
  H  H132  1  0.750119  0.278197  0.575817  1
  H  H133  1  1.088366  0.427070  0.610143  1
  H  H134  1  0.588366  0.427070  0.610143  1
  H  H135  1  1.152269  0.667551  0.614158  1
  H  H136  1  0.652269  0.667551  0.614158  1
  H  H137  1  1.065035  0.018946  0.579452  1
  H  H138  1  0.565035  0.018946  0.579452  1
  H  H139  1  1.000119  0.278197  0.575817  1
  H  H140  1  0.500119  0.278197  0.575817  1
  H  H141  1  0.838366  0.427070  0.610143  1
  H  H142  1  0.338366  0.427070  0.610143  1
  H  H143  1  0.902269  0.667551  0.614158  1
  H  H144  1  0.402269  0.667551  0.614158  1
  H  H145  1  0.218010  0.904244  0.618138  1
  H  H146  1  0.718010  0.904244  0.618138  1
  H  H147  1  1.152631  0.164865  0.614294  1
  H  H148  1  0.652631  0.164865  0.614294  1
  H  H149  1  0.991199  0.314240  0.648125  1
  H  H150  1  0.491199  0.314240  0.648125  1
  H  H151  1  1.056138  0.553882  0.651952  1
  H  H152  1  0.556138  0.553882  0.651952  1
  H  H153  1  0.968010  0.904244  0.618138  1
  H  H154  1  0.468010  0.904244  0.618138  1
  H  H155  1  0.902631  0.164865  0.614294  1
  H  H156  1  0.402631  0.164865  0.614294  1
  H  H157  1  0.741199  0.314240  0.648125  1
  H  H158  1  0.241199  0.314240  0.648125  1
  H  H159  1  0.806138  0.553882  0.651952  1
  H  H160  1  0.306138  0.553882  0.651952  1
  H  H161  1  1.121651  0.790633  0.657790  1
  H  H162  1  0.621651  0.790633  0.657790  1
  H  H163  1  1.054451  0.051054  0.652894  1
  H  H164  1  0.554451  0.051054  0.652894  1
  H  H165  1  0.893734  0.201377  0.686913  1
  H  H166  1  0.393734  0.201377  0.686913  1
  H  H167  1  0.958692  0.448261  0.690377  1
  H  H168  1  0.458692  0.448261  0.690377  1
  H  H169  1  0.871651  0.790633  0.657790  1
  H  H170  1  0.371651  0.790633  0.657790  1
  H  H171  1  0.804451  0.051054  0.652894  1
  H  H172  1  0.304451  0.051054  0.652894  1
  H  H173  1  0.643734  0.201377  0.686913  1
  H  H174  1  1.143734  0.201377  0.686913  1
  H  H175  1  0.708692  0.448261  0.690377  1
  H  H176  1  0.208692  0.448261  0.690377  1
