# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.24281393
_cell_length_b   10.24244615
_cell_length_c   47.51212651
_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   H252
_cell_volume   4959.58158719
_cell_formula_units_Z   126
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  0.916478  0.250046  0.300654  1
  H  H2  1  0.249811  0.916713  0.300654  1
  H  H3  1  0.215410  0.215647  0.322742  1
  H  H4  1  0.583144  0.583379  0.300654  1
  H  H5  1  0.548744  0.882314  0.322742  1
  H  H6  1  0.617917  0.284820  0.278696  1
  H  H7  1  0.882077  0.548981  0.322742  1
  H  H8  1  0.951250  0.951486  0.278696  1
  H  H9  1  0.284583  0.618153  0.278696  1
  H  H10  1  0.048744  0.382314  0.322742  1
  H  H11  1  0.382077  0.048981  0.322742  1
  H  H12  1  0.451250  0.451486  0.278696  1
  H  H13  1  0.715410  0.715647  0.322742  1
  H  H14  1  0.784583  0.118153  0.278696  1
  H  H15  1  0.749811  0.416713  0.300654  1
  H  H16  1  0.117917  0.784820  0.278696  1
  H  H17  1  0.083144  0.083379  0.300654  1
  H  H18  1  0.416478  0.750046  0.300654  1
  H  H19  1  0.951250  0.451486  0.278696  1
  H  H20  1  0.284583  0.118153  0.278696  1
  H  H21  1  0.249811  0.416713  0.300654  1
  H  H22  1  0.617917  0.784820  0.278696  1
  H  H23  1  0.583144  0.083379  0.300654  1
  H  H24  1  0.548744  0.382314  0.322742  1
  H  H25  1  0.916478  0.750046  0.300654  1
  H  H26  1  0.882077  0.048981  0.322742  1
  H  H27  1  0.215410  0.715647  0.322742  1
  H  H28  1  0.117917  0.284820  0.278696  1
  H  H29  1  0.451250  0.951486  0.278696  1
  H  H30  1  0.416478  0.250046  0.300654  1
  H  H31  1  0.784583  0.618153  0.278696  1
  H  H32  1  0.749811  0.916713  0.300654  1
  H  H33  1  0.715410  0.215647  0.322742  1
  H  H34  1  0.083144  0.583379  0.300654  1
  H  H35  1  0.048744  0.882314  0.322742  1
  H  H36  1  0.382077  0.548981  0.322742  1
  H  H37  1  0.813688  0.147260  0.365718  1
  H  H38  1  0.147021  0.813927  0.365718  1
  H  H39  1  0.112775  0.113015  0.387284  1
  H  H40  1  0.480355  0.480594  0.365718  1
  H  H41  1  0.446108  0.779682  0.387284  1
  H  H42  1  0.514535  0.181440  0.344009  1
  H  H43  1  0.779442  0.446348  0.387284  1
  H  H44  1  0.847868  0.848106  0.344009  1
  H  H45  1  0.181202  0.514773  0.344009  1
  H  H46  1  0.946108  0.279682  0.387284  1
  H  H47  1  0.279442  0.946348  0.387284  1
  H  H48  1  0.347868  0.348106  0.344009  1
  H  H49  1  0.612775  0.613015  0.387284  1
  H  H50  1  0.681202  0.014773  0.344009  1
  H  H51  1  0.647021  0.313927  0.365718  1
  H  H52  1  0.014535  0.681440  0.344009  1
  H  H53  1  0.980355  0.980594  0.365718  1
  H  H54  1  0.313688  0.647260  0.365718  1
  H  H55  1  0.847868  0.348106  0.344009  1
  H  H56  1  0.181202  0.014773  0.344009  1
  H  H57  1  0.147021  0.313927  0.365718  1
  H  H58  1  0.514535  0.681440  0.344009  1
  H  H59  1  0.480355  0.980594  0.365718  1
  H  H60  1  0.446108  0.279682  0.387284  1
  H  H61  1  0.813688  0.647260  0.365718  1
  H  H62  1  0.779442  0.946348  0.387284  1
  H  H63  1  0.112775  0.613015  0.387284  1
  H  H64  1  0.014535  0.181440  0.344009  1
  H  H65  1  0.347868  0.848106  0.344009  1
  H  H66  1  0.313688  0.147260  0.365718  1
  H  H67  1  0.681202  0.514773  0.344009  1
  H  H68  1  0.647021  0.813927  0.365718  1
  H  H69  1  0.612775  0.113015  0.387284  1
  H  H70  1  0.980355  0.480594  0.365718  1
  H  H71  1  0.946108  0.779682  0.387284  1
  H  H72  1  0.279442  0.446348  0.387284  1
  H  H73  1  0.710903  0.044479  0.430595  1
  H  H74  1  0.044237  0.711145  0.430595  1
  H  H75  1  0.009965  0.010208  0.452253  1
  H  H76  1  0.377570  0.377812  0.430595  1
  H  H77  1  0.343298  0.676875  0.452253  1
  H  H78  1  0.411843  0.078751  0.408966  1
  H  H79  1  0.676632  0.343541  0.452253  1
  H  H80  1  0.745176  0.745418  0.408966  1
  H  H81  1  0.078510  0.412084  0.408966  1
  H  H82  1  0.843298  0.176875  0.452253  1
  H  H83  1  0.176632  0.843541  0.452253  1
  H  H84  1  0.245176  0.245418  0.408966  1
  H  H85  1  0.509965  0.510208  0.452253  1
  H  H86  1  0.578510  0.912084  0.408966  1
  H  H87  1  0.544237  0.211145  0.430595  1
  H  H88  1  0.911843  0.578751  0.408966  1
  H  H89  1  0.877570  0.877812  0.430595  1
  H  H90  1  0.210903  0.544479  0.430595  1
  H  H91  1  0.745176  0.245418  0.408966  1
  H  H92  1  0.078510  0.912084  0.408966  1
  H  H93  1  0.044237  0.211145  0.430595  1
  H  H94  1  0.411843  0.578751  0.408966  1
  H  H95  1  0.377570  0.877812  0.430595  1
  H  H96  1  0.343298  0.176875  0.452253  1
  H  H97  1  0.710903  0.544479  0.430595  1
  H  H98  1  0.676632  0.843541  0.452253  1
  H  H99  1  0.009965  0.510208  0.452253  1
  H  H100  1  0.911843  0.078751  0.408966  1
  H  H101  1  0.245176  0.745418  0.408966  1
  H  H102  1  0.210903  0.044479  0.430595  1
  H  H103  1  0.578510  0.412084  0.408966  1
  H  H104  1  0.544237  0.711145  0.430595  1
  H  H105  1  0.509965  0.010208  0.452253  1
  H  H106  1  0.877570  0.377812  0.430595  1
  H  H107  1  0.843298  0.676875  0.452253  1
  H  H108  1  0.176632  0.343541  0.452253  1
  H  H109  1  0.608088  0.941666  0.495545  1
  H  H110  1  0.941421  0.608333  0.495545  1
  H  H111  1  0.907149  0.907396  0.517194  1
  H  H112  1  0.274754  0.275000  0.495545  1
  H  H113  1  0.240483  0.574062  0.517194  1
  H  H114  1  0.309026  0.975937  0.473896  1
  H  H115  1  0.573816  0.240729  0.517194  1
  H  H116  1  0.642359  0.642604  0.473896  1
  H  H117  1  0.975693  0.309270  0.473896  1
  H  H118  1  0.740483  0.074062  0.517194  1
  H  H119  1  0.073816  0.740729  0.517194  1
  H  H120  1  0.142359  0.142604  0.473896  1
  H  H121  1  0.407149  0.407396  0.517194  1
  H  H122  1  0.475693  0.809270  0.473896  1
  H  H123  1  0.441421  0.108333  0.495545  1
  H  H124  1  0.809026  0.475937  0.473896  1
  H  H125  1  0.774754  0.775000  0.495545  1
  H  H126  1  0.108088  0.441666  0.495545  1
  H  H127  1  0.642359  0.142604  0.473896  1
  H  H128  1  0.975693  0.809270  0.473896  1
  H  H129  1  0.941421  0.108333  0.495545  1
  H  H130  1  0.309026  0.475937  0.473896  1
  H  H131  1  0.274754  0.775000  0.495545  1
  H  H132  1  0.240483  0.074062  0.517194  1
  H  H133  1  0.608088  0.441666  0.495545  1
  H  H134  1  0.573816  0.740729  0.517194  1
  H  H135  1  0.907149  0.407396  0.517194  1
  H  H136  1  0.809026  0.975937  0.473896  1
  H  H137  1  0.142359  0.642604  0.473896  1
  H  H138  1  0.108088  0.941666  0.495545  1
  H  H139  1  0.475693  0.309270  0.473896  1
  H  H140  1  0.441421  0.608333  0.495545  1
  H  H141  1  0.407149  0.907396  0.517194  1
  H  H142  1  0.774754  0.275000  0.495545  1
  H  H143  1  0.740483  0.574062  0.517194  1
  H  H144  1  0.073816  0.240729  0.517194  1
  H  H145  1  0.505272  0.838854  0.560495  1
  H  H146  1  0.838606  0.505521  0.560495  1
  H  H147  1  0.804332  0.804582  0.582125  1
  H  H148  1  0.171939  0.172187  0.560495  1
  H  H149  1  0.137666  0.471248  0.582125  1
  H  H150  1  0.206211  0.873125  0.538837  1
  H  H151  1  0.470999  0.137915  0.582125  1
  H  H152  1  0.539544  0.539791  0.538837  1
  H  H153  1  0.872877  0.206458  0.538837  1
  H  H154  1  0.637666  0.971248  0.582125  1
  H  H155  1  0.970999  0.637915  0.582125  1
  H  H156  1  0.039544  0.039791  0.538837  1
  H  H157  1  0.304332  0.304582  0.582125  1
  H  H158  1  0.372877  0.706458  0.538837  1
  H  H159  1  0.338606  0.005521  0.560495  1
  H  H160  1  0.706211  0.373125  0.538837  1
  H  H161  1  0.671939  0.672187  0.560495  1
  H  H162  1  0.005272  0.338854  0.560495  1
  H  H163  1  0.539544  0.039791  0.538837  1
  H  H164  1  0.872877  0.706458  0.538837  1
  H  H165  1  0.838606  0.005521  0.560495  1
  H  H166  1  0.206211  0.373125  0.538837  1
  H  H167  1  0.171939  0.672187  0.560495  1
  H  H168  1  0.137666  0.971248  0.582125  1
  H  H169  1  0.505272  0.338854  0.560495  1
  H  H170  1  0.470999  0.637915  0.582125  1
  H  H171  1  0.804332  0.304582  0.582125  1
  H  H172  1  0.706211  0.873125  0.538837  1
  H  H173  1  0.039544  0.539791  0.538837  1
  H  H174  1  0.005272  0.838854  0.560495  1
  H  H175  1  0.372877  0.206458  0.538837  1
  H  H176  1  0.338606  0.505521  0.560495  1
  H  H177  1  0.304332  0.804582  0.582125  1
  H  H178  1  0.671939  0.172187  0.560495  1
  H  H179  1  0.637666  0.471248  0.582125  1
  H  H180  1  0.970999  0.137915  0.582125  1
  H  H181  1  0.402487  0.736072  0.625373  1
  H  H182  1  0.735821  0.402739  0.625373  1
  H  H183  1  0.701641  0.701893  0.647082  1
  H  H184  1  0.069154  0.069405  0.625373  1
  H  H185  1  0.034974  0.368560  0.647082  1
  H  H186  1  0.103401  0.770318  0.603807  1
  H  H187  1  0.368307  0.035226  0.647082  1
  H  H188  1  0.436734  0.436984  0.603807  1
  H  H189  1  0.770067  0.103651  0.603807  1
  H  H190  1  0.534974  0.868560  0.647082  1
  H  H191  1  0.868307  0.535226  0.647082  1
  H  H192  1  0.936734  0.936984  0.603807  1
  H  H193  1  0.201641  0.201893  0.647082  1
  H  H194  1  0.270067  0.603651  0.603807  1
  H  H195  1  0.235821  0.902739  0.625373  1
  H  H196  1  0.603401  0.270318  0.603807  1
  H  H197  1  0.569154  0.569405  0.625373  1
  H  H198  1  0.902487  0.236072  0.625373  1
  H  H199  1  0.436734  0.936984  0.603807  1
  H  H200  1  0.770067  0.603651  0.603807  1
  H  H201  1  0.735821  0.902739  0.625373  1
  H  H202  1  0.103401  0.270318  0.603807  1
  H  H203  1  0.069154  0.569405  0.625373  1
  H  H204  1  0.034974  0.868560  0.647082  1
  H  H205  1  0.402487  0.236072  0.625373  1
  H  H206  1  0.368307  0.535226  0.647082  1
  H  H207  1  0.701641  0.201893  0.647082  1
  H  H208  1  0.603401  0.770318  0.603807  1
  H  H209  1  0.936734  0.436984  0.603807  1
  H  H210  1  0.902487  0.736072  0.625373  1
  H  H211  1  0.270067  0.103651  0.603807  1
  H  H212  1  0.235821  0.402739  0.625373  1
  H  H213  1  0.201641  0.701893  0.647082  1
  H  H214  1  0.569154  0.069405  0.625373  1
  H  H215  1  0.534974  0.368560  0.647082  1
  H  H216  1  0.868307  0.035226  0.647082  1
  H  H217  1  0.299698  0.633286  0.690437  1
  H  H218  1  0.633031  0.299953  0.690437  1
  H  H219  1  0.598259  0.598513  0.712395  1
  H  H220  1  0.966365  0.966620  0.690437  1
  H  H221  1  0.931592  0.265180  0.712395  1
  H  H222  1  1.000765  0.667685  0.668348  1
  H  H223  1  0.264925  0.931846  0.712395  1
  H  H224  1  0.334099  0.334352  0.668348  1
  H  H225  1  0.667432  1.001019  0.668348  1
  H  H226  1  0.431592  0.765180  0.712395  1
  H  H227  1  0.764925  0.431846  0.712395  1
  H  H228  1  0.834099  0.834352  0.668348  1
  H  H229  1  0.098259  0.098513  0.712395  1
  H  H230  1  0.167432  0.501019  0.668348  1
  H  H231  1  0.133031  0.799953  0.690437  1
  H  H232  1  0.500765  0.167685  0.668348  1
  H  H233  1  0.466365  0.466620  0.690437  1
  H  H234  1  0.799698  0.133286  0.690437  1
  H  H235  1  0.334099  0.834352  0.668348  1
  H  H236  1  0.667432  0.501019  0.668348  1
  H  H237  1  0.633031  0.799953  0.690437  1
  H  H238  1  1.000765  0.167685  0.668348  1
  H  H239  1  0.966365  0.466620  0.690437  1
  H  H240  1  0.931592  0.765180  0.712395  1
  H  H241  1  0.299698  0.133286  0.690437  1
  H  H242  1  0.264925  0.431846  0.712395  1
  H  H243  1  0.598259  0.098513  0.712395  1
  H  H244  1  0.500765  0.667685  0.668348  1
  H  H245  1  0.834099  0.334352  0.668348  1
  H  H246  1  0.799698  0.633286  0.690437  1
  H  H247  1  0.167432  1.001019  0.668348  1
  H  H248  1  0.133031  0.299953  0.690437  1
  H  H249  1  0.098259  0.598513  0.712395  1
  H  H250  1  0.466365  0.966620  0.690437  1
  H  H251  1  0.431592  0.265180  0.712395  1
  H  H252  1  0.764925  0.931846  0.712395  1
