# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.67290168
_cell_length_b   7.61112021
_cell_length_c   46.29560864
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   52.73659517
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H180
_cell_volume   2993.00722743
_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  0.681512  0.580680  0.278640  1
  H  H2  1  0.014845  0.580680  0.278640  1
  H  H3  1  0.700405  0.923116  0.308394  1
  H  H4  1  0.599840  0.008508  0.292269  1
  H  H5  1  0.348178  0.580680  0.278640  1
  H  H6  1  0.027664  0.928274  0.307420  1
  H  H7  1  0.942669  0.000446  0.293791  1
  H  H8  1  0.625955  0.344812  0.323181  1
  H  H9  1  0.533738  0.423116  0.308394  1
  H  H10  1  0.367072  0.923116  0.308394  1
  H  H11  1  0.266507  0.008508  0.292269  1
  H  H12  1  0.181512  0.080680  0.278640  1
  H  H13  1  0.867072  0.423116  0.308394  1
  H  H14  1  0.766507  0.508508  0.292269  1
  H  H15  1  0.514845  0.080680  0.278640  1
  H  H16  1  0.200405  0.423116  0.308394  1
  H  H17  1  0.099840  0.508508  0.292269  1
  H  H18  1  0.433173  0.508508  0.292269  1
  H  H19  1  0.459288  0.844812  0.323181  1
  H  H20  1  0.792621  0.844812  0.323181  1
  H  H21  1  0.482275  0.183772  0.353592  1
  H  H22  1  0.388276  0.263589  0.338520  1
  H  H23  1  0.128229  0.842881  0.323546  1
  H  H24  1  0.815608  0.183772  0.353592  1
  H  H25  1  0.721610  0.263589  0.338520  1
  H  H26  1  0.410099  0.603538  0.368744  1
  H  H27  1  0.316100  0.683355  0.353671  1
  H  H28  1  0.148942  0.183772  0.353592  1
  H  H29  1  0.054943  0.263589  0.338520  1
  H  H30  1  0.959288  0.344812  0.323181  1
  H  H31  1  0.648942  0.683772  0.353592  1
  H  H32  1  0.554943  0.763589  0.338520  1
  H  H33  1  0.292621  0.344812  0.323181  1
  H  H34  1  0.982275  0.683772  0.353592  1
  H  H35  1  0.888276  0.763589  0.338520  1
  H  H36  1  0.220445  0.764578  0.338333  1
  H  H37  1  0.243693  0.103316  0.368786  1
  H  H38  1  0.577026  0.103316  0.368786  1
  H  H39  1  0.265987  0.442865  0.399085  1
  H  H40  1  0.171425  0.523160  0.383922  1
  H  H41  1  0.910360  0.103316  0.368786  1
  H  H42  1  0.599249  0.442925  0.399074  1
  H  H43  1  0.504850  0.523082  0.383937  1
  H  H44  1  0.193806  0.862634  0.414236  1
  H  H45  1  0.099320  0.942865  0.399085  1
  H  H46  1  0.932654  0.442865  0.399085  1
  H  H47  1  0.838092  0.523160  0.383922  1
  H  H48  1  0.743693  0.603316  0.368786  1
  H  H49  1  0.432654  0.942865  0.399085  1
  H  H50  1  0.338092  0.023160  0.383922  1
  H  H51  1  0.077026  0.603316  0.368786  1
  H  H52  1  0.765987  0.942865  0.399085  1
  H  H53  1  0.671425  0.023160  0.383922  1
  H  H54  1  0.004759  0.023160  0.383922  1
  H  H55  1  0.027140  0.362634  0.414236  1
  H  H56  1  0.360473  0.362634  0.414236  1
  H  H57  1  0.049499  0.702127  0.444546  1
  H  H58  1  0.954994  0.782374  0.429393  1
  H  H59  1  0.693811  0.362630  0.414237  1
  H  H60  1  0.382832  0.702127  0.444546  1
  H  H61  1  0.288327  0.782374  0.429393  1
  H  H62  1  0.977323  0.121893  0.459698  1
  H  H63  1  0.882818  0.202139  0.444544  1
  H  H64  1  0.716166  0.702127  0.444546  1
  H  H65  1  0.621661  0.782374  0.429393  1
  H  H66  1  0.527140  0.862634  0.414236  1
  H  H67  1  0.216166  0.202127  0.444546  1
  H  H68  1  0.121661  0.282374  0.429393  1
  H  H69  1  0.860473  0.862634  0.414236  1
  H  H70  1  0.549499  0.202127  0.444546  1
  H  H71  1  0.454994  0.282374  0.429393  1
  H  H72  1  0.788297  0.282400  0.429388  1
  H  H73  1  0.810678  0.621874  0.459701  1
  H  H74  1  0.144011  0.621874  0.459701  1
  H  H75  1  0.833031  0.961373  0.490011  1
  H  H76  1  0.738520  0.041624  0.474856  1
  H  H77  1  0.477345  0.621874  0.459701  1
  H  H78  1  0.166344  0.961390  0.490007  1
  H  H79  1  0.071835  0.041640  0.474853  1
  H  H80  1  0.760873  0.381122  0.505165  1
  H  H81  1  0.666364  0.461373  0.490011  1
  H  H82  1  0.499697  0.961373  0.490011  1
  H  H83  1  0.405187  0.041624  0.474856  1
  H  H84  1  0.310678  0.121874  0.459701  1
  H  H85  1  0.999697  0.461373  0.490011  1
  H  H86  1  0.905187  0.541624  0.474856  1
  H  H87  1  0.644011  0.121874  0.459701  1
  H  H88  1  0.333031  0.461373  0.490011  1
  H  H89  1  0.238520  0.541624  0.474856  1
  H  H90  1  0.571853  0.541624  0.474856  1
  H  H91  1  0.594207  0.881122  0.505165  1
  H  H92  1  0.927540  0.881122  0.505165  1
  H  H93  1  0.616560  0.220621  0.535475  1
  H  H94  1  0.522051  0.300871  0.520320  1
  H  H95  1  0.260854  0.881138  0.505162  1
  H  H96  1  0.949893  0.220621  0.535475  1
  H  H97  1  0.855384  0.300871  0.520320  1
  H  H98  1  0.544383  0.640386  0.550626  1
  H  H99  1  0.449874  0.720636  0.535472  1
  H  H100  1  0.283226  0.220621  0.535475  1
  H  H101  1  0.188717  0.300871  0.520320  1
  H  H102  1  0.094207  0.381122  0.505165  1
  H  H103  1  0.783226  0.720621  0.535475  1
  H  H104  1  0.688717  0.800871  0.520320  1
  H  H105  1  0.427540  0.381122  0.505165  1
  H  H106  1  0.116560  0.720621  0.535475  1
  H  H107  1  0.022051  0.800871  0.520320  1
  H  H108  1  0.355364  0.800888  0.520317  1
  H  H109  1  0.377739  0.140368  0.550630  1
  H  H110  1  0.711072  0.140368  0.550630  1
  H  H111  1  0.400098  0.479861  0.580940  1
  H  H112  1  0.305577  0.560121  0.565783  1
  H  H113  1  0.044405  0.140368  0.550630  1
  H  H114  1  0.733400  0.479887  0.580935  1
  H  H115  1  0.638896  0.560133  0.565781  1
  H  H116  1  0.327917  0.899630  0.596091  1
  H  H117  1  0.233431  0.979861  0.580940  1
  H  H118  1  0.066765  0.479861  0.580940  1
  H  H119  1  0.972243  0.560121  0.565783  1
  H  H120  1  0.877739  0.640368  0.550630  1
  H  H121  1  0.566765  0.979861  0.580940  1
  H  H122  1  0.472243  0.060121  0.565783  1
  H  H123  1  0.211072  0.640368  0.550630  1
  H  H124  1  0.900098  0.979861  0.580940  1
  H  H125  1  0.805577  0.060121  0.565783  1
  H  H126  1  0.138910  0.060121  0.565783  1
  H  H127  1  0.161250  0.399630  0.596091  1
  H  H128  1  0.494584  0.399630  0.596091  1
  H  H129  1  0.183544  0.739179  0.626390  1
  H  H130  1  0.089146  0.819335  0.611254  1
  H  H131  1  0.827922  0.399626  0.596091  1
  H  H132  1  0.516878  0.739179  0.626390  1
  H  H133  1  0.422479  0.819335  0.611254  1
  H  H134  1  0.111368  0.158944  0.641542  1
  H  H135  1  0.016969  0.239101  0.626405  1
  H  H136  1  0.850211  0.739179  0.626390  1
  H  H137  1  0.755812  0.819335  0.611254  1
  H  H138  1  0.661250  0.899630  0.596091  1
  H  H139  1  0.350211  0.239179  0.626390  1
  H  H140  1  0.255812  0.319335  0.611254  1
  H  H141  1  0.994584  0.899630  0.596091  1
  H  H142  1  0.683544  0.239179  0.626390  1
  H  H143  1  0.589146  0.319335  0.611254  1
  H  H144  1  0.922408  0.319396  0.611242  1
  H  H145  1  0.944962  0.658723  0.641584  1
  H  H146  1  0.278296  0.658723  0.641584  1
  H  H147  1  0.967950  0.997683  0.671995  1
  H  H148  1  0.872294  0.078906  0.656657  1
  H  H149  1  0.611629  0.658723  0.641584  1
  H  H150  1  0.300118  0.998672  0.671808  1
  H  H151  1  0.206119  0.078488  0.656735  1
  H  H152  1  0.893499  0.419379  0.686782  1
  H  H153  1  0.801283  0.497683  0.671995  1
  H  H154  1  0.634616  0.997683  0.671995  1
  H  H155  1  0.538961  0.078906  0.656657  1
  H  H156  1  0.444962  0.158723  0.641584  1
  H  H157  1  0.134616  0.497683  0.671995  1
  H  H158  1  0.038961  0.578906  0.656657  1
  H  H159  1  0.778296  0.158723  0.641584  1
  H  H160  1  0.467950  0.497683  0.671995  1
  H  H161  1  0.372294  0.578906  0.656657  1
  H  H162  1  0.705628  0.578906  0.656657  1
  H  H163  1  0.726833  0.919379  0.686782  1
  H  H164  1  0.060166  0.919379  0.686782  1
  H  H165  1  0.745726  0.261815  0.716536  1
  H  H166  1  0.660731  0.333987  0.702907  1
  H  H167  1  0.395773  0.917448  0.687146  1
  H  H168  1  0.079059  0.261815  0.716536  1
  H  H169  1  0.994064  0.333987  0.702907  1
  H  H170  1  0.673550  0.681581  0.731688  1
  H  H171  1  0.588555  0.753752  0.718059  1
  H  H172  1  0.412393  0.261815  0.716536  1
  H  H173  1  0.327398  0.333987  0.702907  1
  H  H174  1  0.226833  0.419379  0.686782  1
  H  H175  1  0.912393  0.761815  0.716536  1
  H  H176  1  0.827398  0.833987  0.702907  1
  H  H177  1  0.560166  0.419379  0.686782  1
  H  H178  1  0.245726  0.761815  0.716536  1
  H  H179  1  0.160731  0.833987  0.702907  1
  H  H180  1  0.487990  0.839145  0.701933  1
