# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43604287
_cell_length_b   6.01719966
_cell_length_c   78.52250268
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H117
_cell_volume   2443.84575534
_cell_formula_units_Z   58
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  1.114571  1.049903  0.087838  1
  H  H2  1  0.447904  0.716570  0.087838  1
  H  H3  1  0.432090  0.983824  0.110417  1
  H  H4  1  0.749288  0.921388  0.087984  1
  H  H5  1  1.082622  0.588054  0.087984  1
  H  H6  1  0.415955  0.254721  0.087984  1
  H  H7  1  0.781237  0.383237  0.087838  1
  H  H8  1  0.765423  0.650490  0.110417  1
  H  H9  1  1.098757  0.317157  0.110417  1
  H  H10  1  1.095819  0.821690  0.110992  1
  H  H11  1  0.429153  0.488357  0.110992  1
  H  H12  1  0.427697  0.741022  0.133085  1
  H  H13  1  0.765886  0.898162  0.132859  1
  H  H14  1  1.099219  0.564829  0.132859  1
  H  H15  1  0.432553  0.231496  0.132859  1
  H  H16  1  0.762486  1.155023  0.110992  1
  H  H17  1  0.761031  0.407689  0.133085  1
  H  H18  1  1.094364  1.074356  0.133085  1
  H  H19  1  1.098460  0.815692  0.155092  1
  H  H20  1  0.431794  0.482358  0.155092  1
  H  H21  1  0.432846  0.728583  0.177407  1
  H  H22  1  0.760667  0.657284  0.155587  1
  H  H23  1  1.094001  0.323950  0.155587  1
  H  H24  1  0.427334  0.990617  0.155587  1
  H  H25  1  0.765127  1.149025  0.155092  1
  H  H26  1  0.766180  0.395249  0.177407  1
  H  H27  1  1.099513  1.061916  0.177407  1
  H  H28  1  1.090195  0.578947  0.178065  1
  H  H29  1  0.423529  0.245613  0.178065  1
  H  H30  1  0.416636  0.501893  0.200772  1
  H  H31  1  0.765181  0.642225  0.199492  1
  H  H32  1  1.098514  0.308892  0.199492  1
  H  H33  1  0.431847  0.975558  0.199492  1
  H  H34  1  0.756862  0.912280  0.178065  1
  H  H35  1  0.749969  0.168560  0.200772  1
  H  H36  1  1.083302  0.835226  0.200772  1
  H  H37  1  1.093772  0.553405  0.221506  1
  H  H38  1  0.427105  0.220071  0.221506  1
  H  H39  1  0.411578  0.468290  0.243088  1
  H  H40  1  0.735890  0.431608  0.223419  1
  H  H41  1  1.069223  1.098275  0.223419  1
  H  H42  1  0.402556  0.764941  0.223419  1
  H  H43  1  0.760439  0.886738  0.221506  1
  H  H44  1  0.744912  1.134957  0.243088  1
  H  H45  1  1.078245  0.801623  0.243088  1
  H  H46  1  1.047371  0.368691  0.246494  1
  H  H47  1  0.380705  1.035358  0.246494  1
  H  H48  1  0.341372  0.327010  0.270238  1
  H  H49  1  0.711933  0.389670  0.264116  1
  H  H50  1  1.045267  1.056337  0.264116  1
  H  H51  1  0.378600  0.723003  0.264116  1
  H  H52  1  0.714038  0.702025  0.246494  1
  H  H53  1  0.674706  0.993677  0.270238  1
  H  H54  1  1.008039  0.660344  0.270238  1
  H  H55  1  0.994968  0.319922  0.284537  1
  H  H56  1  0.328301  0.986589  0.284537  1
  H  H57  1  0.274076  0.248904  0.304706  1
  H  H58  1  0.634522  0.284413  0.294621  1
  H  H59  1  0.967855  0.951080  0.294621  1
  H  H60  1  0.301188  0.617747  0.294621  1
  H  H61  1  0.661635  0.653255  0.284537  1
  H  H62  1  0.607409  0.915571  0.304706  1
  H  H63  1  0.940742  0.582238  0.304706  1
  H  H64  1  0.927671  0.241816  0.319004  1
  H  H65  1  0.261005  0.908483  0.319004  1
  H  H66  1  0.221672  0.200135  0.342748  1
  H  H67  1  0.557110  0.179157  0.325126  1
  H  H68  1  0.890444  0.845823  0.325126  1
  H  H69  1  0.223777  0.512490  0.325126  1
  H  H70  1  0.594338  0.575150  0.319004  1
  H  H71  1  0.555006  0.866802  0.342748  1
  H  H72  1  0.888339  0.533468  0.342748  1
  H  H73  1  0.857465  1.100537  0.346154  1
  H  H74  1  0.190799  0.767203  0.346154  1
  H  H75  1  0.175272  1.015422  0.367737  1
  H  H76  1  0.533154  1.137218  0.365823  1
  H  H77  1  0.866487  0.803885  0.365823  1
  H  H78  1  0.199821  0.470552  0.365823  1
  H  H79  1  0.524132  0.433870  0.346154  1
  H  H80  1  0.508605  0.682088  0.367737  1
  H  H81  1  0.841938  0.348755  0.367737  1
  H  H82  1  0.852408  1.066934  0.388470  1
  H  H83  1  0.185741  0.733600  0.388470  1
  H  H84  1  0.178848  0.989880  0.411177  1
  H  H85  1  0.503863  0.926601  0.389751  1
  H  H86  1  0.837196  0.593268  0.389751  1
  H  H87  1  1.170530  0.259935  0.389751  1
  H  H88  1  0.519075  0.400267  0.388470  1
  H  H89  1  0.512182  0.656547  0.411177  1
  H  H90  1  0.845515  0.323213  0.411177  1
  H  H91  1  0.836197  0.840244  0.411836  1
  H  H92  1  1.169531  0.506910  0.411836  1
  H  H93  1  1.170583  0.753135  0.434150  1
  H  H94  1  0.508376  0.911543  0.433656  1
  H  H95  1  0.841710  0.578210  0.433656  1
  H  H96  1  0.175043  0.244876  0.433656  1
  H  H97  1  0.502864  0.173577  0.411836  1
  H  H98  1  0.503917  0.419801  0.434150  1
  H  H99  1  0.837250  1.086468  0.434150  1
  H  H100  1  0.841346  0.827804  0.456157  1
  H  H101  1  0.174679  0.494471  0.456157  1
  H  H102  1  1.173224  0.747136  0.478251  1
  H  H103  1  0.503158  0.670664  0.456384  1
  H  H104  1  0.836491  0.337331  0.456384  1
  H  H105  1  1.169824  1.003997  0.456384  1
  H  H106  1  0.508013  0.161138  0.456157  1
  H  H107  1  0.506558  0.413803  0.478251  1
  H  H108  1  0.839891  1.080470  0.478251  1
  H  H109  1  0.836954  0.585003  0.478826  1
  H  H110  1  1.170287  0.251669  0.478826  1
  H  H111  1  1.154473  0.518923  0.501405  1
  H  H112  1  0.519755  0.647439  0.501258  1
  H  H113  1  0.853089  0.314106  0.501258  1
  H  H114  1  0.186422  0.980772  0.501258  1
  H  H115  1  0.503620  0.918336  0.478826  1
  H  H116  1  0.487806  0.185590  0.501405  1
  H  H117  1  0.821140  0.852257  0.501405  1
