# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92621179
_cell_length_b   7.89448156
_cell_length_c   45.70024893
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.18582973
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr36 Ni72'
_cell_volume   2844.90611664
_cell_formula_units_Z   36
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  0.512837  0.477386  0.275588  1
  Cr  Cr2  1  0.936600  0.444811  0.298713  1
  Cr  Cr3  1  0.728272  0.950869  0.287148  1
  Cr  Cr4  1  0.176125  0.919109  0.312472  1
  Cr  Cr5  1  0.410721  0.395020  0.326884  1
  Cr  Cr6  1  0.857549  0.349364  0.350705  1
  Cr  Cr7  1  0.633617  0.871963  0.339070  1
  Cr  Cr8  1  0.088028  0.824627  0.363462  1
  Cr  Cr9  1  0.316383  0.301070  0.376506  1
  Cr  Cr10  1  0.768521  0.255498  0.401233  1
  Cr  Cr11  1  0.540998  0.778771  0.388832  1
  Cr  Cr12  1  0.996158  0.731921  0.413718  1
  Cr  Cr13  1  0.222634  0.208890  0.426281  1
  Cr  Cr14  1  0.677076  0.162785  0.451311  1
  Cr  Cr15  1  0.449530  0.686042  0.438816  1
  Cr  Cr16  1  0.904265  0.639610  0.463797  1
  Cr  Cr17  1  0.130993  0.116542  0.476314  1
  Cr  Cr18  1  0.585284  0.070284  0.501341  1
  Cr  Cr19  1  0.357998  0.593464  0.488839  1
  Cr  Cr20  1  0.812480  0.547169  0.513838  1
  Cr  Cr21  1  0.039417  0.024149  0.526370  1
  Cr  Cr22  1  0.493605  0.977755  0.551389  1
  Cr  Cr23  1  0.266421  0.501038  0.538886  1
  Cr  Cr24  1  0.720570  0.454618  0.563835  1
  Cr  Cr25  1  0.947504  0.931799  0.576394  1
  Cr  Cr26  1  0.402769  0.885028  0.601543  1
  Cr  Cr27  1  0.175105  0.408617  0.588965  1
  Cr  Cr28  1  0.627999  0.362113  0.613745  1
  Cr  Cr29  1  0.853208  0.839293  0.626271  1
  Cr  Cr30  1  0.312901  0.791619  0.651984  1
  Cr  Cr31  1  0.084422  0.315471  0.639191  1
  Cr  Cr32  1  0.535638  0.269577  0.663529  1
  Cr  Cr33  1  0.759655  0.744441  0.676348  1
  Cr  Cr34  1  0.225278  0.697439  0.703050  1
  Cr  Cr35  1  0.995052  0.221676  0.690150  1
  Cr  Cr36  1  0.441389  0.190713  0.715344  1
  Ni  Ni37  1  0.693813  0.256257  0.306007  1
  Ni  Ni38  1  0.241265  0.301553  0.281788  1
  Ni  Ni39  1  0.436621  0.096235  0.309786  1
  Ni  Ni40  1  0.983929  0.138117  0.285980  1
  Ni  Ni41  1  0.460288  0.786333  0.293691  1
  Ni  Ni42  1  0.922270  0.740034  0.318387  1
  Ni  Ni43  1  0.662134  0.575151  0.322560  1
  Ni  Ni44  1  0.208316  0.611710  0.297633  1
  Ni  Ni45  1  0.603367  0.168041  0.355433  1
  Ni  Ni46  1  0.145867  0.220664  0.331241  1
  Ni  Ni47  1  0.343125  0.003799  0.359353  1
  Ni  Ni48  1  0.890800  0.049793  0.335189  1
  Ni  Ni49  1  0.374248  0.692456  0.342969  1
  Ni  Ni50  1  0.830655  0.645715  0.367844  1
  Ni  Ni51  1  0.571979  0.480880  0.372533  1
  Ni  Ni52  1  0.116259  0.525310  0.347045  1
  Ni  Ni53  1  0.511192  0.076421  0.405245  1
  Ni  Ni54  1  0.056812  0.122692  0.380164  1
  Ni  Ni55  1  0.252741  0.910978  0.409738  1
  Ni  Ni56  1  0.799139  0.956914  0.384952  1
  Ni  Ni57  1  0.283633  0.599497  0.392682  1
  Ni  Ni58  1  0.738708  0.553553  0.417734  1
  Ni  Ni59  1  0.480116  0.387862  0.422487  1
  Ni  Ni60  1  0.025717  0.433550  0.397172  1
  Ni  Ni61  1  0.419653  0.984146  0.455236  1
  Ni  Ni62  1  0.965679  0.030166  0.430167  1
  Ni  Ni63  1  0.161184  0.818412  0.459876  1
  Ni  Ni64  1  0.707120  0.864538  0.434910  1
  Ni  Ni65  1  0.192540  0.507046  0.442700  1
  Ni  Ni66  1  0.646918  0.461024  0.467744  1
  Ni  Ni67  1  0.388215  0.295226  0.472432  1
  Ni  Ni68  1  0.934141  0.341462  0.447351  1
  Ni  Ni69  1  0.328041  0.891660  0.505265  1
  Ni  Ni70  1  0.873994  0.937800  0.480219  1
  Ni  Ni71  1  0.069561  0.725987  0.509939  1
  Ni  Ni72  1  0.615353  0.772096  0.484917  1
  Ni  Ni73  1  0.100987  0.414688  0.492752  1
  Ni  Ni74  1  0.555133  0.368487  0.517745  1
  Ni  Ni75  1  0.296503  0.202792  0.522455  1
  Ni  Ni76  1  0.842478  0.248994  0.497425  1
  Ni  Ni77  1  0.236441  0.799284  0.555341  1
  Ni  Ni78  1  0.782268  0.845368  0.530244  1
  Ni  Ni79  1  0.978047  0.633627  0.559952  1
  Ni  Ni80  1  0.523580  0.679636  0.534930  1
  Ni  Ni81  1  0.009350  0.322276  0.542826  1
  Ni  Ni82  1  0.463328  0.275919  0.567745  1
  Ni  Ni83  1  0.204928  0.110301  0.572510  1
  Ni  Ni84  1  0.750809  0.156479  0.547463  1
  Ni  Ni85  1  0.144796  0.707293  0.605444  1
  Ni  Ni86  1  0.690351  0.752693  0.580220  1
  Ni  Ni87  1  0.886884  0.541232  0.609779  1
  Ni  Ni88  1  0.431817  0.587342  0.584964  1
  Ni  Ni89  1  0.917729  0.229846  0.592938  1
  Ni  Ni90  1  0.371677  0.183267  0.617796  1
  Ni  Ni91  1  0.113862  0.017792  0.622456  1
  Ni  Ni92  1  0.659150  0.064093  0.597529  1
  Ni  Ni93  1  0.052843  0.615315  0.655244  1
  Ni  Ni94  1  0.598674  0.659693  0.630369  1
  Ni  Ni95  1  0.797296  0.445854  0.658795  1
  Ni  Ni96  1  0.340205  0.495576  0.634908  1
  Ni  Ni97  1  0.827239  0.136874  0.643077  1
  Ni  Ni98  1  0.281048  0.089577  0.667745  1
  Ni  Ni99  1  0.023037  0.921280  0.671210  1
  Ni  Ni100  1  0.567095  0.971979  0.647734  1
  Ni  Ni101  1  0.961334  0.528898  0.704543  1
  Ni  Ni102  1  0.509106  0.567201  0.680703  1
  Ni  Ni103  1  0.707800  0.364992  0.709005  1
  Ni  Ni104  1  0.248338  0.401273  0.684220  1
  Ni  Ni105  1  0.733725  0.051829  0.692474  1
  Ni  Ni106  1  0.186762  0.001443  0.716697  1
  Ni  Ni107  1  0.924755  0.841290  0.720399  1
  Ni  Ni108  1  0.481922  0.878992  0.697939  1
