# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.92728345
_cell_length_b   16.99875580
_cell_length_c   45.99076373
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   77.60623828
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H360
_cell_volume   7580.14361164
_cell_formula_units_Z   180
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  1.000467  0.993742  0.298523  1
  H  H2  1  0.389928  0.013292  0.291418  1
  H  H3  1  0.768783  0.022369  0.281827  1
  H  H4  1  1.000592  0.493734  0.298531  1
  H  H5  1  0.389859  0.513358  0.291435  1
  H  H6  1  0.768683  0.522377  0.281843  1
  H  H7  1  0.004287  0.741485  0.298222  1
  H  H8  1  0.384448  0.762781  0.292607  1
  H  H9  1  0.617026  0.734186  0.309230  1
  H  H10  1  0.004402  0.241443  0.298222  1
  H  H11  1  0.384452  0.262794  0.292594  1
  H  H12  1  0.617121  0.234131  0.309246  1
  H  H13  1  0.881071  0.633962  0.290440  1
  H  H14  1  0.279050  0.651701  0.282611  1
  H  H15  1  0.509601  0.621100  0.300417  1
  H  H16  1  0.881137  0.133961  0.290431  1
  H  H17  1  0.278954  0.151722  0.282609  1
  H  H18  1  0.509788  0.121129  0.300430  1
  H  H19  1  0.118099  0.855996  0.306870  1
  H  H20  1  0.493398  0.874256  0.301451  1
  H  H21  1  0.886031  0.881819  0.290143  1
  H  H22  1  0.118273  0.355956  0.306868  1
  H  H23  1  0.493419  0.374250  0.301438  1
  H  H24  1  0.885931  0.381834  0.290140  1
  H  H25  1  0.829337  0.963603  0.330162  1
  H  H26  1  0.222934  0.970260  0.318138  1
  H  H27  1  0.610093  0.982624  0.311452  1
  H  H28  1  0.829480  0.463571  0.330146  1
  H  H29  1  0.222864  0.470412  0.318122  1
  H  H30  1  0.610123  0.482708  0.311424  1
  H  H31  1  0.830821  0.714303  0.330284  1
  H  H32  1  0.215965  0.726791  0.322558  1
  H  H33  1  0.436531  0.705157  0.339868  1
  H  H34  1  0.830722  0.214269  0.330276  1
  H  H35  1  0.215806  0.226783  0.322535  1
  H  H36  1  0.436659  0.205170  0.339888  1
  H  H37  1  0.720287  0.599673  0.322230  1
  H  H38  1  0.112468  0.604222  0.308464  1
  H  H39  1  0.326875  0.593259  0.331036  1
  H  H40  1  0.720184  0.099670  0.322246  1
  H  H41  1  0.112486  0.104287  0.308447  1
  H  H42  1  0.326945  0.093283  0.331064  1
  H  H43  1  0.941179  0.826263  0.338152  1
  H  H44  1  0.324180  0.841574  0.332268  1
  H  H45  1  0.720164  0.847399  0.319653  1
  H  H46  1  0.941056  0.326201  0.338177  1
  H  H47  1  0.324045  0.341501  0.332268  1
  H  H48  1  0.720219  0.347389  0.319653  1
  H  H49  1  0.651914  0.931733  0.358734  1
  H  H50  1  0.047964  0.939820  0.347182  1
  H  H51  1  0.432078  0.957341  0.341018  1
  H  H52  1  0.651736  0.431717  0.358744  1
  H  H53  1  0.047910  0.439812  0.347178  1
  H  H54  1  0.431941  0.457360  0.341049  1
  H  H55  1  0.650297  0.683873  0.359018  1
  H  H56  1  0.046067  0.688570  0.348104  1
  H  H57  1  0.257048  0.674476  0.369675  1
  H  H58  1  0.650302  0.183907  0.359041  1
  H  H59  1  0.046133  0.188623  0.348130  1
  H  H60  1  0.256968  0.174488  0.369681  1
  H  H61  1  0.542794  0.568739  0.349685  1
  H  H62  1  0.938916  0.575960  0.338606  1
  H  H63  1  0.154214  0.555167  0.357666  1
  H  H64  1  0.542743  0.068739  0.349673  1
  H  H65  1  0.938897  0.075933  0.338596  1
  H  H66  1  0.154204  0.055192  0.357687  1
  H  H67  1  0.758759  0.796631  0.368064  1
  H  H68  1  0.149351  0.809112  0.359823  1
  H  H69  1  0.543259  0.818661  0.349066  1
  H  H70  1  0.758820  0.296764  0.368104  1
  H  H71  1  0.149405  0.309171  0.359816  1
  H  H72  1  0.543407  0.318616  0.349068  1
  H  H73  1  0.471996  0.901176  0.387749  1
  H  H74  1  0.868745  0.908190  0.376901  1
  H  H75  1  0.256084  0.924671  0.369683  1
  H  H76  1  0.472079  0.401101  0.387770  1
  H  H77  1  0.868639  0.408158  0.376921  1
  H  H78  1  0.256140  0.424710  0.369680  1
  H  H79  1  0.472232  0.651494  0.387821  1
  H  H80  1  0.866220  0.658227  0.377084  1
  H  H81  1  0.080378  0.637757  0.396326  1
  H  H82  1  0.472292  0.151559  0.387824  1
  H  H83  1  0.866069  0.158288  0.377064  1
  H  H84  1  0.080413  0.137850  0.396305  1
  H  H85  1  0.363202  0.539434  0.379238  1
  H  H86  1  0.758928  0.545500  0.368513  1
  H  H87  1  0.975426  0.522262  0.385866  1
  H  H88  1  0.363194  0.039393  0.379258  1
  H  H89  1  0.758828  0.045501  0.368494  1
  H  H90  1  0.975409  0.022224  0.385864  1
  H  H91  1  0.579163  0.765100  0.397054  1
  H  H92  1  0.974002  0.771714  0.386233  1
  H  H93  1  0.364583  0.787664  0.378842  1
  H  H94  1  0.579124  0.265104  0.397025  1
  H  H95  1  0.973847  0.271696  0.386212  1
  H  H96  1  0.364592  0.287570  0.378872  1
  H  H97  1  0.292012  0.870389  0.417089  1
  H  H98  1  0.686833  0.878225  0.406305  1
  H  H99  1  0.078973  0.890321  0.397341  1
  H  H100  1  0.292073  0.370412  0.417069  1
  H  H101  1  0.686877  0.378174  0.406300  1
  H  H102  1  0.079004  0.390391  0.397358  1
  H  H103  1  0.291116  0.621356  0.417418  1
  H  H104  1  0.686595  0.628035  0.406348  1
  H  H105  1  0.902186  0.604628  0.424506  1
  H  H106  1  0.291257  0.121302  0.417431  1
  H  H107  1  0.686583  0.128092  0.406319  1
  H  H108  1  0.902260  0.104605  0.424521  1
  H  H109  1  0.184771  0.506407  0.407612  1
  H  H110  1  0.579244  0.514280  0.396958  1
  H  H111  1  0.795077  0.490695  0.415244  1
  H  H112  1  0.184806  0.006366  0.407626  1
  H  H113  1  0.579356  0.014245  0.396932  1
  H  H114  1  0.795120  0.990626  0.415266  1
  H  H115  1  0.399382  0.733849  0.426206  1
  H  H116  1  0.794261  0.741003  0.415294  1
  H  H117  1  0.184220  0.756473  0.407722  1
  H  H118  1  0.399379  0.233803  0.426243  1
  H  H119  1  0.794344  0.240986  0.415322  1
  H  H120  1  0.184288  0.256493  0.407730  1
  H  H121  1  0.112652  0.838330  0.445658  1
  H  H122  1  0.507356  0.846979  0.435346  1
  H  H123  1  0.902253  0.854468  0.424628  1
  H  H124  1  0.112787  0.338251  0.445657  1
  H  H125  1  0.507495  0.347026  0.435350  1
  H  H126  1  0.902210  0.354365  0.424622  1
  H  H127  1  0.112770  0.588143  0.445630  1
  H  H128  1  0.507419  0.596798  0.435257  1
  H  H129  1  0.722921  0.573268  0.453625  1
  H  H130  1  0.112721  0.088204  0.445633  1
  H  H131  1  0.507366  0.096842  0.435248  1
  H  H132  1  0.722848  0.073306  0.453621  1
  H  H133  1  0.007167  0.471624  0.435101  1
  H  H134  1  0.399714  0.483690  0.426183  1
  H  H135  1  0.614772  0.460397  0.444590  1
  H  H136  1  0.007247  0.971686  0.435109  1
  H  H137  1  0.399669  0.983700  0.426178  1
  H  H138  1  0.614798  0.960440  0.444590  1
  H  H139  1  0.218867  0.703378  0.455516  1
  H  H140  1  0.614714  0.710316  0.444586  1
  H  H141  1  0.007964  0.720254  0.434653  1
  H  H142  1  0.218907  0.203469  0.455491  1
  H  H143  1  0.614675  0.210340  0.444567  1
  H  H144  1  0.007983  0.220222  0.434647  1
  H  H145  1  0.936298  0.802512  0.472830  1
  H  H146  1  0.327160  0.816459  0.464562  1
  H  H147  1  0.722728  0.823496  0.453696  1
  H  H148  1  0.936399  0.302470  0.472851  1
  H  H149  1  0.327148  0.316400  0.464499  1
  H  H150  1  0.722525  0.323587  0.453645  1
  H  H151  1  0.935849  0.553154  0.473059  1
  H  H152  1  0.327360  0.566281  0.464459  1
  H  H153  1  0.542658  0.542837  0.482845  1
  H  H154  1  0.935935  0.053116  0.473089  1
  H  H155  1  0.327236  0.066205  0.464472  1
  H  H156  1  0.542621  0.042904  0.482852  1
  H  H157  1  0.830173  0.437116  0.462928  1
  H  H158  1  0.219604  0.452945  0.455316  1
  H  H159  1  0.435186  0.429402  0.473631  1
  H  H160  1  0.830259  0.936949  0.462930  1
  H  H161  1  0.219633  0.952973  0.455310  1
  H  H162  1  0.435099  0.929411  0.473634  1
  H  H163  1  0.040936  0.670235  0.483716  1
  H  H164  1  0.435142  0.679379  0.473590  1
  H  H165  1  0.830174  0.687015  0.462822  1
  H  H166  1  0.040995  0.170160  0.483716  1
  H  H167  1  0.434984  0.179382  0.473613  1
  H  H168  1  0.830144  0.187016  0.462839  1
  H  H169  1  0.758330  0.769175  0.501086  1
  H  H170  1  0.255177  0.648807  0.502787  1
  H  H171  1  0.542627  0.792800  0.482852  1
  H  H172  1  0.758177  0.269242  0.501054  1
  H  H173  1  0.255097  0.148895  0.502744  1
  H  H174  1  0.542647  0.292811  0.482873  1
  H  H175  1  0.757942  0.519537  0.501212  1
  H  H176  1  0.041271  0.420004  0.483684  1
  H  H177  1  0.255167  0.398943  0.502822  1
  H  H178  1  0.758034  0.019571  0.501220  1
  H  H179  1  0.041326  0.919998  0.483667  1
  H  H180  1  0.255031  0.898984  0.502778  1
  H  H181  1  0.650427  0.405998  0.491978  1
  H  H182  1  0.147272  0.285519  0.493681  1
  H  H183  1  0.362884  0.262031  0.511883  1
  H  H184  1  0.650405  0.906062  0.491969  1
  H  H185  1  0.147278  0.785616  0.493669  1
  H  H186  1  0.363068  0.761946  0.511906  1
  H  H187  1  0.864355  0.634832  0.511094  1
  H  H188  1  0.147509  0.535246  0.493533  1
  H  H189  1  0.650380  0.655881  0.491957  1
  H  H190  1  0.864301  0.134804  0.511073  1
  H  H191  1  0.147585  0.035321  0.493544  1
  H  H192  1  0.650579  0.155872  0.491928  1
  H  H193  1  0.686066  0.601831  0.539433  1
  H  H194  1  0.075293  0.617860  0.531813  1
  H  H195  1  0.470368  0.625424  0.521125  1
  H  H196  1  0.685986  0.101814  0.539451  1
  H  H197  1  0.075372  0.117751  0.531812  1
  H  H198  1  0.470472  0.125351  0.521132  1
  H  H199  1  0.470383  0.375379  0.521121  1
  H  H200  1  0.864625  0.384650  0.511039  1
  H  H201  1  0.075292  0.367806  0.531905  1
  H  H202  1  0.470440  0.875428  0.521169  1
  H  H203  1  0.864556  0.884559  0.511058  1
  H  H204  1  0.075461  0.867811  0.531916  1
  H  H205  1  0.578344  0.238427  0.530221  1
  H  H206  1  0.969202  0.252359  0.521908  1
  H  H207  1  0.182995  0.231283  0.541091  1
  H  H208  1  0.578307  0.738405  0.530183  1
  H  H209  1  0.969145  0.752300  0.521891  1
  H  H210  1  0.183030  0.731249  0.541047  1
  H  H211  1  0.578151  0.488692  0.530263  1
  H  H212  1  0.969615  0.501702  0.521671  1
  H  H213  1  0.363018  0.511972  0.511910  1
  H  H214  1  0.578220  0.988574  0.530279  1
  H  H215  1  0.969624  1.001707  0.521680  1
  H  H216  1  0.362943  0.011911  0.511911  1
  H  H217  1  0.505858  0.571156  0.568573  1
  H  H218  1  0.898246  0.583143  0.559639  1
  H  H219  1  0.290715  0.594406  0.550192  1
  H  H220  1  0.505926  0.071128  0.568567  1
  H  H221  1  0.898282  0.083224  0.559638  1
  H  H222  1  0.290744  0.094432  0.550161  1
  H  H223  1  0.290876  0.344421  0.550181  1
  H  H224  1  0.686531  0.351357  0.539270  1
  H  H225  1  0.897671  0.334579  0.560078  1
  H  H226  1  0.290850  0.844582  0.550185  1
  H  H227  1  0.686737  0.851462  0.539239  1
  H  H228  1  0.897528  0.834562  0.560112  1
  H  H229  1  0.398195  0.207832  0.559402  1
  H  H230  1  0.792973  0.216480  0.549106  1
  H  H231  1  0.003326  0.200384  0.570129  1
  H  H232  1  0.398205  0.707753  0.559423  1
  H  H233  1  0.792803  0.716516  0.549099  1
  H  H234  1  0.003353  0.700380  0.570144  1
  H  H235  1  0.398118  0.457996  0.559492  1
  H  H236  1  0.792803  0.466662  0.549134  1
  H  H237  1  0.182694  0.481565  0.541135  1
  H  H238  1  0.398203  0.957944  0.559481  1
  H  H239  1  0.792872  0.966693  0.549124  1
  H  H240  1  0.182708  0.981478  0.541120  1
  H  H241  1  0.326230  0.540594  0.597821  1
  H  H242  1  0.720668  0.548419  0.587122  1
  H  H243  1  0.110573  0.564189  0.579478  1
  H  H244  1  0.326326  0.040562  0.597810  1
  H  H245  1  0.720750  0.048372  0.587139  1
  H  H246  1  0.110405  0.064165  0.579504  1
  H  H247  1  0.111378  0.313839  0.579441  1
  H  H248  1  0.506149  0.321092  0.568542  1
  H  H249  1  0.721294  0.298290  0.587013  1
  H  H250  1  0.111302  0.813808  0.579461  1
  H  H251  1  0.506121  0.820982  0.568552  1
  H  H252  1  0.721297  0.798319  0.587005  1
  H  H253  1  0.218679  0.176624  0.588471  1
  H  H254  1  0.613532  0.184338  0.577696  1
  H  H255  1  0.826440  0.164458  0.597404  1
  H  H256  1  0.218661  0.676602  0.588435  1
  H  H257  1  0.613579  0.684454  0.577673  1
  H  H258  1  0.826443  0.664490  0.597400  1
  H  H259  1  0.218918  0.426757  0.588440  1
  H  H260  1  0.614434  0.433496  0.577323  1
  H  H261  1  0.003346  0.450213  0.570250  1
  H  H262  1  0.218870  0.926873  0.588415  1
  H  H263  1  0.614406  0.933510  0.577333  1
  H  H264  1  0.003273  0.950216  0.570246  1
  H  H265  1  0.146626  0.509334  0.626234  1
  H  H266  1  0.542323  0.515440  0.615480  1
  H  H267  1  0.930198  0.532577  0.608897  1
  H  H268  1  0.146606  0.009305  0.626260  1
  H  H269  1  0.542415  0.015415  0.615497  1
  H  H270  1  0.930063  0.032650  0.608874  1
  H  H271  1  0.931722  0.283098  0.608544  1
  H  H272  1  0.326436  0.289670  0.597694  1
  H  H273  1  0.541005  0.267175  0.615907  1
  H  H274  1  0.931676  0.783104  0.608514  1
  H  H275  1  0.326414  0.789660  0.597700  1
  H  H276  1  0.540925  0.767223  0.615898  1
  H  H277  1  0.036845  0.146698  0.617841  1
  H  H278  1  0.433485  0.153768  0.606988  1
  H  H279  1  0.649359  0.130170  0.625052  1
  H  H280  1  0.036868  0.646653  0.617842  1
  H  H281  1  0.433544  0.653691  0.607001  1
  H  H282  1  0.649421  0.630120  0.625058  1
  H  H283  1  0.039354  0.396520  0.617684  1
  H  H284  1  0.433310  0.403241  0.606928  1
  H  H285  1  0.825210  0.417049  0.598445  1
  H  H286  1  0.039466  0.896508  0.617693  1
  H  H287  1  0.433262  0.903296  0.606950  1
  H  H288  1  0.825091  0.917086  0.598422  1
  H  H289  1  0.966707  0.478821  0.656156  1
  H  H290  1  0.362800  0.486034  0.645066  1
  H  H291  1  0.751393  0.499626  0.637094  1
  H  H292  1  0.966686  0.978852  0.656157  1
  H  H293  1  0.362826  0.986090  0.645070  1
  H  H294  1  0.751387  0.999628  0.637063  1
  H  H295  1  0.756025  0.245635  0.634928  1
  H  H296  1  0.146739  0.258122  0.626664  1
  H  H297  1  0.362210  0.236211  0.645681  1
  H  H298  1  0.756172  0.745660  0.634944  1
  H  H299  1  0.146819  0.758139  0.626673  1
  H  H300  1  0.362188  0.736172  0.645689  1
  H  H301  1  0.857742  0.115024  0.647565  1
  H  H302  1  0.253681  0.123119  0.636018  1
  H  H303  1  0.473606  0.097487  0.653697  1
  H  H304  1  0.857671  0.614980  0.647574  1
  H  H305  1  0.253738  0.623141  0.636020  1
  H  H306  1  0.473528  0.597522  0.653715  1
  H  H307  1  0.859466  0.366222  0.646640  1
  H  H308  1  0.255238  0.370910  0.635744  1
  H  H309  1  0.648497  0.380356  0.625086  1
  H  H310  1  0.859463  0.866249  0.646623  1
  H  H311  1  0.255355  0.870848  0.635709  1
  H  H312  1  0.648551  0.880353  0.625051  1
  H  H313  1  0.793074  0.450615  0.686272  1
  H  H314  1  0.185238  0.455145  0.672516  1
  H  H315  1  0.578701  0.461541  0.663712  1
  H  H316  1  0.792998  0.950649  0.686297  1
  H  H317  1  0.185397  0.955227  0.672527  1
  H  H318  1  0.578615  0.961510  0.663723  1
  H  H319  1  0.581455  0.213320  0.662496  1
  H  H320  1  0.964445  0.228619  0.656583  1
  H  H321  1  0.185351  0.207446  0.675095  1
  H  H322  1  0.581458  0.713289  0.662507  1
  H  H323  1  0.964440  0.728560  0.656610  1
  H  H324  1  0.185418  0.707380  0.675083  1
  H  H325  1  0.682702  0.084458  0.676627  1
  H  H326  1  0.076107  0.091141  0.664595  1
  H  H327  1  0.295441  0.072115  0.683322  1
  H  H328  1  0.682717  0.584477  0.676625  1
  H  H329  1  0.076096  0.591269  0.664606  1
  H  H330  1  0.295400  0.572158  0.683327  1
  H  H331  1  0.689781  0.328047  0.672199  1
  H  H332  1  0.074810  0.340582  0.664458  1
  H  H333  1  0.468826  0.349672  0.654865  1
  H  H334  1  0.689672  0.828002  0.672224  1
  H  H335  1  0.074815  0.840545  0.664466  1
  H  H336  1  0.468925  0.849622  0.654851  1
  H  H337  1  0.626540  0.403099  0.712153  1
  H  H338  1  0.024489  0.420842  0.704313  1
  H  H339  1  0.395799  0.433709  0.694320  1
  H  H340  1  0.626596  0.903108  0.712139  1
  H  H341  1  0.024404  0.920840  0.704324  1
  H  H342  1  0.395720  0.933744  0.694320  1
  H  H343  1  0.412194  0.180599  0.693314  1
  H  H344  1  0.787344  0.198832  0.687881  1
  H  H345  1  0.019567  0.172972  0.704622  1
  H  H346  1  0.412169  0.680596  0.693300  1
  H  H347  1  0.787340  0.698865  0.687876  1
  H  H348  1  0.019565  0.672985  0.704603  1
  H  H349  1  0.515620  0.041500  0.703333  1
  H  H350  1  0.905080  0.061091  0.696220  1
  H  H351  1  0.136772  0.032479  0.712914  1
  H  H352  1  0.515658  0.541496  0.703321  1
  H  H353  1  0.904927  0.561124  0.696217  1
  H  H354  1  0.136877  0.532453  0.712916  1
  H  H355  1  0.521069  0.291986  0.702143  1
  H  H356  1  0.901178  0.313337  0.696528  1
  H  H357  1  0.288538  0.320650  0.685507  1
  H  H358  1  0.521111  0.791981  0.702144  1
  H  H359  1  0.901245  0.813298  0.696532  1
  H  H360  1  0.288483  0.820670  0.685516  1
