# generated using pymatgen
data_Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.94622749
_cell_length_b   16.51374752
_cell_length_c   47.18697518
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr
_chemical_formula_sum   Cr336
_cell_volume   9279.73724628
_cell_formula_units_Z   336
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
  Cr  Cr1  1  0.043711  0.360191  0.325328  1
  Cr  Cr2  1  0.543967  0.359889  0.325237  1
  Cr  Cr3  1  0.470896  0.720932  0.304207  1
  Cr  Cr4  1  0.607481  0.994527  0.346366  1
  Cr  Cr5  1  0.971711  0.720955  0.304399  1
  Cr  Cr6  1  0.400531  0.084991  0.282597  1
  Cr  Cr7  1  0.721953  0.222009  0.304218  1
  Cr  Cr8  1  0.223016  0.221500  0.304125  1
  Cr  Cr9  1  0.159798  0.586064  0.282624  1
  Cr  Cr10  1  0.288565  0.859811  0.325317  1
  Cr  Cr11  1  0.659662  0.585843  0.282589  1
  Cr  Cr12  1  0.788511  0.859280  0.325246  1
  Cr  Cr13  1  0.903051  0.198660  0.320248  1
  Cr  Cr14  1  0.404047  0.199875  0.320971  1
  Cr  Cr15  1  0.347292  0.564483  0.298272  1
  Cr  Cr16  1  0.469863  0.835953  0.340391  1
  Cr  Cr17  1  0.847380  0.564797  0.298311  1
  Cr  Cr18  1  0.970109  0.836073  0.340340  1
  Cr  Cr19  1  0.058871  0.249483  0.288012  1
  Cr  Cr20  1  0.557783  0.248281  0.287950  1
  Cr  Cr21  1  0.189439  0.521562  0.330486  1
  Cr  Cr22  1  0.622259  0.887549  0.307237  1
  Cr  Cr23  1  0.689372  0.521512  0.330490  1
  Cr  Cr24  1  0.123051  0.888034  0.307183  1
  Cr  Cr25  1  0.971429  0.467156  0.305204  1
  Cr  Cr26  1  0.471134  0.466590  0.305123  1
  Cr  Cr27  1  0.389372  0.819715  0.283953  1
  Cr  Cr28  1  0.535627  0.106655  0.326383  1
  Cr  Cr29  1  0.888955  0.817967  0.283958  1
  Cr  Cr30  1  0.035469  0.106737  0.325768  1
  Cr  Cr31  1  0.902538  0.321767  0.283947  1
  Cr  Cr32  1  0.403174  0.320371  0.283875  1
  Cr  Cr33  1  0.044161  0.606948  0.326384  1
  Cr  Cr34  1  0.468166  0.966130  0.305260  1
  Cr  Cr35  1  0.543917  0.606725  0.326300  1
  Cr  Cr36  1  0.968663  0.965669  0.304967  1
  Cr  Cr37  1  0.838797  0.336247  0.340279  1
  Cr  Cr38  1  0.338865  0.336125  0.340297  1
  Cr  Cr39  1  0.268762  0.700085  0.321125  1
  Cr  Cr40  1  0.688305  0.064752  0.298316  1
  Cr  Cr41  1  0.768591  0.699705  0.321117  1
  Cr  Cr42  1  0.191456  0.064755  0.298274  1
  Cr  Cr43  1  0.237912  0.388307  0.307215  1
  Cr  Cr44  1  0.737966  0.388604  0.307169  1
  Cr  Cr45  1  0.662345  0.747778  0.288116  1
  Cr  Cr46  1  0.806202  0.021646  0.329474  1
  Cr  Cr47  1  0.162778  0.748127  0.288091  1
  Cr  Cr48  1  0.305145  0.021347  0.330501  1
  Cr  Cr49  1  0.745894  0.269008  0.387584  1
  Cr  Cr50  1  0.245690  0.268898  0.387589  1
  Cr  Cr51  1  0.178962  0.632181  0.367571  1
  Cr  Cr52  1  0.313560  0.905336  0.408508  1
  Cr  Cr53  1  0.678787  0.632103  0.367555  1
  Cr  Cr54  1  0.107728  0.994658  0.346271  1
  Cr  Cr55  1  0.426053  0.132179  0.367511  1
  Cr  Cr56  1  0.925918  0.132019  0.367182  1
  Cr  Cr57  1  0.860126  0.494884  0.346299  1
  Cr  Cr58  1  0.995974  0.769090  0.387685  1
  Cr  Cr59  1  0.360082  0.494740  0.346270  1
  Cr  Cr60  1  0.496060  0.769040  0.387681  1
  Cr  Cr61  1  0.603181  0.109515  0.382573  1
  Cr  Cr62  1  0.102752  0.109395  0.382456  1
  Cr  Cr63  1  0.037218  0.472810  0.361605  1
  Cr  Cr64  1  0.172487  0.746278  0.403422  1
  Cr  Cr65  1  0.537100  0.472610  0.361567  1
  Cr  Cr66  1  0.672519  0.746296  0.403383  1
  Cr  Cr67  1  0.750597  0.155354  0.351081  1
  Cr  Cr68  1  0.250295  0.155162  0.351121  1
  Cr  Cr69  1  0.888421  0.427847  0.392850  1
  Cr  Cr70  1  0.320448  0.792068  0.371965  1
  Cr  Cr71  1  0.388391  0.427846  0.392846  1
  Cr  Cr72  1  0.820433  0.792049  0.371895  1
  Cr  Cr73  1  0.678055  0.382498  0.366814  1
  Cr  Cr74  1  0.177946  0.382346  0.366779  1
  Cr  Cr75  1  0.108548  0.745430  0.346361  1
  Cr  Cr76  1  0.244558  0.018770  0.387753  1
  Cr  Cr77  1  0.608244  0.745262  0.346289  1
  Cr  Cr78  1  0.744730  0.018837  0.387554  1
  Cr  Cr79  1  0.609564  0.245448  0.346262  1
  Cr  Cr80  1  0.109597  0.245271  0.346160  1
  Cr  Cr81  1  0.746989  0.518724  0.387777  1
  Cr  Cr82  1  0.177208  0.882482  0.366863  1
  Cr  Cr83  1  0.246963  0.518645  0.387756  1
  Cr  Cr84  1  0.677304  0.882505  0.366709  1
  Cr  Cr85  1  0.546545  0.246265  0.403364  1
  Cr  Cr86  1  0.046329  0.246026  0.403255  1
  Cr  Cr87  1  0.979339  0.609540  0.382675  1
  Cr  Cr88  1  0.408334  0.972616  0.361621  1
  Cr  Cr89  1  0.479263  0.609451  0.382640  1
  Cr  Cr90  1  0.907941  0.972657  0.361419  1
  Cr  Cr91  1  0.944320  0.291801  0.371717  1
  Cr  Cr92  1  0.444356  0.292041  0.371872  1
  Cr  Cr93  1  0.377618  0.655120  0.351245  1
  Cr  Cr94  1  0.512174  0.927860  0.392902  1
  Cr  Cr95  1  0.877607  0.655172  0.351300  1
  Cr  Cr96  1  0.012122  0.928005  0.392789  1
  Cr  Cr97  1  0.450284  0.177986  0.450170  1
  Cr  Cr98  1  0.950273  0.177930  0.450139  1
  Cr  Cr99  1  0.882531  0.541392  0.429438  1
  Cr  Cr100  1  0.018387  0.814495  0.471002  1
  Cr  Cr101  1  0.382529  0.541379  0.429423  1
  Cr  Cr102  1  0.813553  0.905396  0.408388  1
  Cr  Cr103  1  0.131543  0.041519  0.429358  1
  Cr  Cr104  1  0.631884  0.041459  0.429356  1
  Cr  Cr105  1  0.564433  0.405276  0.408472  1
  Cr  Cr106  1  0.700431  0.678001  0.450186  1
  Cr  Cr107  1  0.064326  0.405091  0.408420  1
  Cr  Cr108  1  0.200447  0.677976  0.450189  1
  Cr  Cr109  1  0.308031  0.018779  0.445039  1
  Cr  Cr110  1  0.808105  0.018711  0.445004  1
  Cr  Cr111  1  0.740452  0.382323  0.424135  1
  Cr  Cr112  1  0.876521  0.655155  0.465866  1
  Cr  Cr113  1  0.240378  0.382295  0.424114  1
  Cr  Cr114  1  0.376563  0.655157  0.465855  1
  Cr  Cr115  1  0.455678  0.064270  0.413862  1
  Cr  Cr116  1  0.955408  0.064303  0.413726  1
  Cr  Cr117  1  0.592495  0.337230  0.455353  1
  Cr  Cr118  1  0.024332  0.700905  0.434591  1
  Cr  Cr119  1  0.092445  0.337185  0.455325  1
  Cr  Cr120  1  0.524369  0.700889  0.434571  1
  Cr  Cr121  1  0.382069  0.291704  0.429290  1
  Cr  Cr122  1  0.882084  0.291627  0.429269  1
  Cr  Cr123  1  0.814664  0.655141  0.408709  1
  Cr  Cr124  1  0.949905  0.928036  0.450176  1
  Cr  Cr125  1  0.314689  0.655099  0.408704  1
  Cr  Cr126  1  0.449977  0.927999  0.450217  1
  Cr  Cr127  1  0.313219  0.155171  0.408647  1
  Cr  Cr128  1  0.813444  0.155141  0.408538  1
  Cr  Cr129  1  0.450741  0.427930  0.450207  1
  Cr  Cr130  1  0.882298  0.791793  0.429299  1
  Cr  Cr131  1  0.950794  0.427890  0.450193  1
  Cr  Cr132  1  0.382318  0.791728  0.429327  1
  Cr  Cr133  1  0.251257  0.155099  0.465849  1
  Cr  Cr134  1  0.751370  0.155077  0.465839  1
  Cr  Cr135  1  0.683436  0.518701  0.445051  1
  Cr  Cr136  1  0.114606  0.882519  0.424148  1
  Cr  Cr137  1  0.183427  0.518636  0.445033  1
  Cr  Cr138  1  0.614812  0.882463  0.424129  1
  Cr  Cr139  1  0.649350  0.200835  0.434530  1
  Cr  Cr140  1  0.149227  0.200870  0.434514  1
  Cr  Cr141  1  0.081431  0.564157  0.413887  1
  Cr  Cr142  1  0.217444  0.837322  0.455366  1
  Cr  Cr143  1  0.581426  0.564193  0.413880  1
  Cr  Cr144  1  0.717562  0.837330  0.455342  1
  Cr  Cr145  1  0.155453  0.087150  0.512733  1
  Cr  Cr146  1  0.655435  0.087121  0.512712  1
  Cr  Cr147  1  0.586574  0.450711  0.491868  1
  Cr  Cr148  1  0.722455  0.723702  0.533536  1
  Cr  Cr149  1  0.086738  0.450698  0.491864  1
  Cr  Cr150  1  0.518448  0.814487  0.470990  1
  Cr  Cr151  1  0.836832  0.950750  0.491883  1
  Cr  Cr152  1  0.336840  0.950798  0.491888  1
  Cr  Cr153  1  0.268688  0.314381  0.470986  1
  Cr  Cr154  1  0.404396  0.587231  0.512687  1
  Cr  Cr155  1  0.768749  0.314356  0.470986  1
  Cr  Cr156  1  0.904537  0.587208  0.512671  1
  Cr  Cr157  1  0.013189  0.927999  0.507563  1
  Cr  Cr158  1  0.513198  0.928018  0.507554  1
  Cr  Cr159  1  0.444890  0.291475  0.486642  1
  Cr  Cr160  1  0.580232  0.564257  0.528314  1
  Cr  Cr161  1  0.944956  0.291442  0.486637  1
  Cr  Cr162  1  0.080613  0.564252  0.528321  1
  Cr  Cr163  1  0.160487  0.973625  0.476241  1
  Cr  Cr164  1  0.660550  0.973615  0.476228  1
  Cr  Cr165  1  0.297223  0.246483  0.517845  1
  Cr  Cr166  1  0.728383  0.610064  0.497070  1
  Cr  Cr167  1  0.797242  0.246433  0.517826  1
  Cr  Cr168  1  0.228506  0.610075  0.497066  1
  Cr  Cr169  1  0.086786  0.200744  0.491848  1
  Cr  Cr170  1  0.586775  0.200742  0.491856  1
  Cr  Cr171  1  0.518336  0.564340  0.471079  1
  Cr  Cr172  1  0.654566  0.837245  0.512676  1
  Cr  Cr173  1  0.018396  0.564313  0.471078  1
  Cr  Cr174  1  0.154703  0.837257  0.512685  1
  Cr  Cr175  1  0.018738  0.064354  0.471061  1
  Cr  Cr176  1  0.518789  0.064364  0.471065  1
  Cr  Cr177  1  0.155286  0.337142  0.512678  1
  Cr  Cr178  1  0.586677  0.700843  0.491838  1
  Cr  Cr179  1  0.655210  0.337156  0.512653  1
  Cr  Cr180  1  0.086773  0.700840  0.491844  1
  Cr  Cr181  1  0.956507  0.064129  0.528395  1
  Cr  Cr182  1  0.456465  0.064199  0.528400  1
  Cr  Cr183  1  0.387468  0.427973  0.507538  1
  Cr  Cr184  1  0.819312  0.791597  0.486649  1
  Cr  Cr185  1  0.887614  0.427934  0.507515  1
  Cr  Cr186  1  0.319314  0.791619  0.486650  1
  Cr  Cr187  1  0.354333  0.110042  0.497088  1
  Cr  Cr188  1  0.854383  0.109990  0.497075  1
  Cr  Cr189  1  0.785781  0.473500  0.476238  1
  Cr  Cr190  1  0.921982  0.746586  0.517838  1
  Cr  Cr191  1  0.285784  0.473514  0.476230  1
  Cr  Cr192  1  0.421956  0.746646  0.517833  1
  Cr  Cr193  1  0.861064  0.995698  0.575326  1
  Cr  Cr194  1  0.361292  0.995864  0.575375  1
  Cr  Cr195  1  0.291268  0.360146  0.554457  1
  Cr  Cr196  1  0.425512  0.633385  0.596255  1
  Cr  Cr197  1  0.791096  0.360044  0.554403  1
  Cr  Cr198  1  0.222839  0.723697  0.533559  1
  Cr  Cr199  1  0.541558  0.860255  0.554490  1
  Cr  Cr200  1  0.041825  0.860159  0.554472  1
  Cr  Cr201  1  0.973683  0.223445  0.533566  1
  Cr  Cr202  1  0.108126  0.495772  0.575180  1
  Cr  Cr203  1  0.473604  0.223554  0.533573  1
  Cr  Cr204  1  0.606815  0.495896  0.575112  1
  Cr  Cr205  1  0.717190  0.837393  0.569922  1
  Cr  Cr206  1  0.217647  0.837341  0.569994  1
  Cr  Cr207  1  0.150180  0.200712  0.549190  1
  Cr  Cr208  1  0.283950  0.473422  0.590973  1
  Cr  Cr209  1  0.649993  0.200663  0.549132  1
  Cr  Cr210  1  0.783116  0.473817  0.590477  1
  Cr  Cr211  1  0.865393  0.882696  0.538748  1
  Cr  Cr212  1  0.365466  0.882803  0.538757  1
  Cr  Cr213  1  0.003054  0.155193  0.580370  1
  Cr  Cr214  1  0.431960  0.519482  0.559602  1
  Cr  Cr215  1  0.503008  0.155437  0.580392  1
  Cr  Cr216  1  0.932357  0.519327  0.559508  1
  Cr  Cr217  1  0.792166  0.109732  0.554391  1
  Cr  Cr218  1  0.292271  0.109857  0.554430  1
  Cr  Cr219  1  0.222479  0.473519  0.533547  1
  Cr  Cr220  1  0.359685  0.746741  0.575050  1
  Cr  Cr221  1  0.722308  0.473545  0.533485  1
  Cr  Cr222  1  0.859694  0.746835  0.574875  1
  Cr  Cr223  1  0.723889  0.973489  0.533577  1
  Cr  Cr224  1  0.224014  0.973539  0.533605  1
  Cr  Cr225  1  0.859537  0.246446  0.574923  1
  Cr  Cr226  1  0.290481  0.609936  0.554390  1
  Cr  Cr227  1  0.359708  0.246683  0.575016  1
  Cr  Cr228  1  0.790217  0.610035  0.554228  1
  Cr  Cr229  1  0.662585  0.973605  0.590926  1
  Cr  Cr230  1  0.162898  0.973492  0.590913  1
  Cr  Cr231  1  0.092738  0.337118  0.569902  1
  Cr  Cr232  1  0.523080  0.700889  0.549147  1
  Cr  Cr233  1  0.592417  0.337367  0.569907  1
  Cr  Cr234  1  0.023688  0.700884  0.549082  1
  Cr  Cr235  1  0.060036  0.019337  0.559671  1
  Cr  Cr236  1  0.559961  0.019464  0.559676  1
  Cr  Cr237  1  0.489822  0.382559  0.538683  1
  Cr  Cr238  1  0.624596  0.655594  0.580270  1
  Cr  Cr239  1  0.990120  0.382540  0.538672  1
  Cr  Cr240  1  0.125465  0.655408  0.580301  1
  Cr  Cr241  1  0.566997  0.907277  0.637354  1
  Cr  Cr242  1  0.067556  0.907221  0.637257  1
  Cr  Cr243  1  0.995629  0.268832  0.615922  1
  Cr  Cr244  1  0.124645  0.537814  0.657316  1
  Cr  Cr245  1  0.495866  0.269122  0.616045  1
  Cr  Cr246  1  0.925906  0.633747  0.595870  1
  Cr  Cr247  1  0.246373  0.769057  0.616062  1
  Cr  Cr248  1  0.746120  0.769313  0.615844  1
  Cr  Cr249  1  0.680129  0.133379  0.596207  1
  Cr  Cr250  1  0.812054  0.406461  0.636257  1
  Cr  Cr251  1  0.180420  0.133315  0.596220  1
  Cr  Cr252  1  0.312945  0.407402  0.637654  1
  Cr  Cr253  1  0.423540  0.748150  0.633770  1
  Cr  Cr254  1  0.924215  0.748218  0.633695  1
  Cr  Cr255  1  0.854492  0.108537  0.611199  1
  Cr  Cr256  1  0.983342  0.377587  0.653693  1
  Cr  Cr257  1  0.354799  0.108604  0.611305  1
  Cr  Cr258  1  0.483618  0.377601  0.654034  1
  Cr  Cr259  1  0.569264  0.791729  0.601414  1
  Cr  Cr260  1  0.069661  0.791652  0.601357  1
  Cr  Cr261  1  0.709237  0.067547  0.643517  1
  Cr  Cr262  1  0.134729  0.427403  0.622220  1
  Cr  Cr263  1  0.209242  0.066779  0.643519  1
  Cr  Cr264  1  0.633747  0.428017  0.621906  1
  Cr  Cr265  1  0.499646  0.019980  0.616931  1
  Cr  Cr266  1  0.999546  0.019497  0.616778  1
  Cr  Cr267  1  0.926951  0.382540  0.595903  1
  Cr  Cr268  1  0.058302  0.656001  0.637829  1
  Cr  Cr269  1  0.425998  0.382556  0.596325  1
  Cr  Cr270  1  0.557434  0.656266  0.638142  1
  Cr  Cr271  1  0.429134  0.882783  0.596334  1
  Cr  Cr272  1  0.929156  0.882577  0.596236  1
  Cr  Cr273  1  0.571566  0.156833  0.638367  1
  Cr  Cr274  1  0.993428  0.519808  0.616234  1
  Cr  Cr275  1  0.070898  0.155847  0.638151  1
  Cr  Cr276  1  0.492725  0.519726  0.616753  1
  Cr  Cr277  1  0.366941  0.877334  0.654118  1
  Cr  Cr278  1  0.867172  0.877671  0.653907  1
  Cr  Cr279  1  0.797208  0.248264  0.633511  1
  Cr  Cr280  1  0.226816  0.608350  0.611291  1
  Cr  Cr281  1  0.297179  0.248225  0.633676  1
  Cr  Cr282  1  0.726255  0.608911  0.610868  1
  Cr  Cr283  1  0.766091  0.927859  0.622275  1
  Cr  Cr284  1  0.266478  0.927857  0.622375  1
  Cr  Cr285  1  0.195017  0.291687  0.601419  1
  Cr  Cr286  1  0.331032  0.566668  0.643711  1
  Cr  Cr287  1  0.694438  0.291150  0.601175  1
  Cr  Cr288  1  0.829879  0.568094  0.642885  1
  Cr  Cr289  1  0.295126  0.783611  0.701166  1
  Cr  Cr290  1  0.796178  0.783751  0.701026  1
  Cr  Cr291  1  0.715236  0.190302  0.681842  1
  Cr  Cr292  1  0.842707  0.477932  0.719743  1
  Cr  Cr293  1  0.213975  0.187841  0.681524  1
  Cr  Cr294  1  0.622394  0.538537  0.657342  1
  Cr  Cr295  1  0.946043  0.684827  0.681765  1
  Cr  Cr296  1  0.446075  0.688691  0.681661  1
  Cr  Cr297  1  0.388541  0.038494  0.657658  1
  Cr  Cr298  1  0.460504  0.283177  0.701498  1
  Cr  Cr299  1  0.888061  0.038358  0.657402  1
  Cr  Cr300  1  0.962798  0.286529  0.700846  1
  Cr  Cr301  1  0.101407  0.641963  0.695907  1
  Cr  Cr302  1  0.604643  0.646401  0.695184  1
  Cr  Cr303  1  0.560994  0.017965  0.676009  1
  Cr  Cr304  1  0.660481  0.316083  0.714534  1
  Cr  Cr305  1  0.060460  0.016852  0.675945  1
  Cr  Cr306  1  0.155575  0.302584  0.714616  1
  Cr  Cr307  1  0.258598  0.693110  0.660283  1
  Cr  Cr308  1  0.759432  0.693939  0.659848  1
  Cr  Cr309  1  0.384451  0.957040  0.705142  1
  Cr  Cr310  1  0.828034  0.349288  0.684425  1
  Cr  Cr311  1  0.883188  0.956392  0.704897  1
  Cr  Cr312  1  0.328620  0.347941  0.685377  1
  Cr  Cr313  1  0.207651  0.935300  0.678245  1
  Cr  Cr314  1  0.707596  0.936256  0.678015  1
  Cr  Cr315  1  0.625044  0.294877  0.659198  1
  Cr  Cr316  1  0.762637  0.587135  0.699279  1
  Cr  Cr317  1  0.126033  0.293520  0.658708  1
  Cr  Cr318  1  0.263354  0.583908  0.699741  1
  Cr  Cr319  1  0.140449  0.793050  0.658867  1
  Cr  Cr320  1  0.641123  0.793909  0.658806  1
  Cr  Cr321  1  0.292653  0.084077  0.699637  1
  Cr  Cr322  1  0.705912  0.439479  0.676388  1
  Cr  Cr323  1  0.792702  0.084721  0.699476  1
  Cr  Cr324  1  0.198508  0.434603  0.678806  1
  Cr  Cr325  1  0.121135  0.803416  0.714367  1
  Cr  Cr326  1  0.624087  0.806259  0.714382  1
  Cr  Cr327  1  0.514769  0.147789  0.695628  1
  Cr  Cr328  1  0.933561  0.517912  0.672685  1
  Cr  Cr329  1  0.012709  0.145616  0.695304  1
  Cr  Cr330  1  0.429838  0.516485  0.676495  1
  Cr  Cr331  1  0.493359  0.848604  0.685352  1
  Cr  Cr332  1  0.992580  0.846549  0.684893  1
  Cr  Cr333  1  0.906793  0.193903  0.660168  1
  Cr  Cr334  1  0.039157  0.459148  0.705174  1
  Cr  Cr335  1  0.406618  0.193610  0.660196  1
  Cr  Cr336  1  0.554899  0.454508  0.704897  1
