# generated using pymatgen
data_Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37288988
_cell_length_b   10.09542889
_cell_length_c   48.22904069
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr
_chemical_formula_sum   Cr112
_cell_volume   2943.6831804
_cell_formula_units_Z   112
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  0.048240  0.716191  0.301750  1
  Cr  Cr2  1  0.285220  0.156685  0.334185  1
  Cr  Cr3  1  0.447437  0.494367  0.286343  1
  Cr  Cr4  1  0.673904  0.931074  0.317727  1
  Cr  Cr5  1  0.827533  0.460557  0.301349  1
  Cr  Cr6  1  0.043220  0.907169  0.334239  1
  Cr  Cr7  1  0.535481  0.407393  0.332796  1
  Cr  Cr8  1  0.334888  0.971835  0.301547  1
  Cr  Cr9  1  0.335315  0.767681  0.341371  1
  Cr  Cr10  1  0.112234  0.317378  0.311323  1
  Cr  Cr11  1  0.225563  0.545720  0.326203  1
  Cr  Cr12  1  0.007014  0.081611  0.296068  1
  Cr  Cr13  1  0.659899  0.681567  0.318965  1
  Cr  Cr14  1  0.421643  0.244377  0.287207  1
  Cr  Cr15  1  0.421899  0.742015  0.287439  1
  Cr  Cr16  1  0.672381  0.187790  0.317415  1
  Cr  Cr17  1  0.505121  0.600573  0.364954  1
  Cr  Cr18  1  0.727963  0.045339  0.396109  1
  Cr  Cr19  1  0.892259  0.378603  0.349316  1
  Cr  Cr20  1  0.116533  0.823094  0.380640  1
  Cr  Cr21  1  0.255823  0.351681  0.364487  1
  Cr  Cr22  1  0.477698  0.795470  0.396004  1
  Cr  Cr23  1  0.978538  0.295423  0.396026  1
  Cr  Cr24  1  0.755235  0.850838  0.364648  1
  Cr  Cr25  1  0.783427  0.656462  0.403889  1
  Cr  Cr26  1  0.562019  0.212002  0.372496  1
  Cr  Cr27  1  0.671743  0.434246  0.388220  1
  Cr  Cr28  1  0.453074  0.990064  0.356530  1
  Cr  Cr29  1  0.116457  0.573247  0.380464  1
  Cr  Cr30  1  0.893976  0.128327  0.349159  1
  Cr  Cr31  1  0.894671  0.627947  0.349045  1
  Cr  Cr32  1  0.116562  0.073055  0.380538  1
  Cr  Cr33  1  0.949825  0.489776  0.427332  1
  Cr  Cr34  1  0.172424  0.934345  0.458589  1
  Cr  Cr35  1  0.339308  0.267730  0.411646  1
  Cr  Cr36  1  0.561185  0.712081  0.442961  1
  Cr  Cr37  1  0.700483  0.239855  0.427324  1
  Cr  Cr38  1  0.922336  0.684240  0.458627  1
  Cr  Cr39  1  0.422347  0.184371  0.458573  1
  Cr  Cr40  1  0.200303  0.739839  0.427399  1
  Cr  Cr41  1  0.227764  0.545360  0.466445  1
  Cr  Cr42  1  0.005829  0.100990  0.435187  1
  Cr  Cr43  1  0.116901  0.323189  0.450787  1
  Cr  Cr44  1  0.894245  0.878701  0.419577  1
  Cr  Cr45  1  0.561100  0.462034  0.442980  1
  Cr  Cr46  1  0.339549  0.017700  0.411643  1
  Cr  Cr47  1  0.338658  0.517638  0.411758  1
  Cr  Cr48  1  0.561280  0.962111  0.442986  1
  Cr  Cr49  1  0.394548  0.378704  0.489878  1
  Cr  Cr50  1  0.616753  0.823182  0.521165  1
  Cr  Cr51  1  0.783474  0.156522  0.474248  1
  Cr  Cr52  1  0.005646  0.600961  0.505521  1
  Cr  Cr53  1  0.144699  0.128674  0.489898  1
  Cr  Cr54  1  0.366856  0.573156  0.521162  1
  Cr  Cr55  1  0.866703  0.073212  0.521155  1
  Cr  Cr56  1  0.644442  0.628775  0.489869  1
  Cr  Cr57  1  0.672252  0.434281  0.528957  1
  Cr  Cr58  1  0.450037  0.989846  0.497707  1
  Cr  Cr59  1  0.561277  0.212042  0.513335  1
  Cr  Cr60  1  0.339060  0.767625  0.482077  1
  Cr  Cr61  1  0.005553  0.350907  0.505537  1
  Cr  Cr62  1  0.783336  0.906487  0.474270  1
  Cr  Cr63  1  0.783548  0.406519  0.474234  1
  Cr  Cr64  1  0.005818  0.851001  0.505509  1
  Cr  Cr65  1  0.838943  0.267538  0.552452  1
  Cr  Cr66  1  0.061462  0.712246  0.583720  1
  Cr  Cr67  1  0.227858  0.045332  0.536818  1
  Cr  Cr68  1  0.449950  0.489856  0.568040  1
  Cr  Cr69  1  0.588932  0.017515  0.552447  1
  Cr  Cr70  1  0.810986  0.462113  0.583594  1
  Cr  Cr71  1  0.311217  0.962078  0.583767  1
  Cr  Cr72  1  0.088975  0.517666  0.552407  1
  Cr  Cr73  1  0.117126  0.323088  0.591488  1
  Cr  Cr74  1  0.894417  0.878756  0.560253  1
  Cr  Cr75  1  0.005474  0.100914  0.575878  1
  Cr  Cr76  1  0.783544  0.656561  0.544600  1
  Cr  Cr77  1  0.450256  0.239665  0.568061  1
  Cr  Cr78  1  0.227784  0.795366  0.536818  1
  Cr  Cr79  1  0.228018  0.295357  0.536780  1
  Cr  Cr80  1  0.450306  0.739913  0.568081  1
  Cr  Cr81  1  0.283290  0.156509  0.614947  1
  Cr  Cr82  1  0.503605  0.601180  0.646020  1
  Cr  Cr83  1  0.671876  0.934359  0.599369  1
  Cr  Cr84  1  0.895068  0.378851  0.630288  1
  Cr  Cr85  1  0.032810  0.906836  0.614941  1
  Cr  Cr86  1  0.256780  0.351825  0.646275  1
  Cr  Cr87  1  0.754522  0.851101  0.646310  1
  Cr  Cr88  1  0.533384  0.406358  0.614887  1
  Cr  Cr89  1  0.559221  0.211195  0.654195  1
  Cr  Cr90  1  0.339205  0.767496  0.622954  1
  Cr  Cr91  1  0.449590  0.989362  0.638673  1
  Cr  Cr92  1  0.227454  0.545523  0.607090  1
  Cr  Cr93  1  0.895137  0.128270  0.630906  1
  Cr  Cr94  1  0.672704  0.684249  0.599334  1
  Cr  Cr95  1  0.672443  0.183958  0.599451  1
  Cr  Cr96  1  0.894848  0.628499  0.630748  1
  Cr  Cr97  1  0.725837  0.045763  0.677372  1
  Cr  Cr98  1  0.944195  0.483672  0.708980  1
  Cr  Cr99  1  0.117550  0.824301  0.661398  1
  Cr  Cr100  1  0.339912  0.271401  0.693054  1
  Cr  Cr101  1  0.472439  0.792332  0.678135  1
  Cr  Cr102  1  0.678268  0.232481  0.708659  1
  Cr  Cr103  1  0.164563  0.735667  0.708302  1
  Cr  Cr104  1  0.970987  0.296756  0.676523  1
  Cr  Cr105  1  0.009460  0.125809  0.714681  1
  Cr  Cr106  1  0.783106  0.658599  0.683785  1
  Cr  Cr107  1  0.901902  0.888135  0.699186  1
  Cr  Cr108  1  0.675051  0.434506  0.668564  1
  Cr  Cr109  1  0.344195  0.010153  0.695082  1
  Cr  Cr110  1  0.118762  0.573164  0.662415  1
  Cr  Cr111  1  0.122706  0.074323  0.662342  1
  Cr  Cr112  1  0.356420  0.519604  0.693982  1
