# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.38268418
_cell_length_b   8.25629336
_cell_length_c   46.27847700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.74656239
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr42 Ni84'
_cell_volume   3156.69837423
_cell_formula_units_Z   42
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  0.423828  0.210768  0.334337  1
  Cr  Cr2  1  0.995778  0.319863  0.292822  1
  Cr  Cr3  1  0.710434  0.264260  0.314136  1
  Cr  Cr4  1  0.133244  0.838054  0.283505  1
  Cr  Cr5  1  0.849488  0.793690  0.303522  1
  Cr  Cr6  1  0.564382  0.735168  0.324425  1
  Cr  Cr7  1  0.567589  0.062535  0.397549  1
  Cr  Cr8  1  0.137733  0.161409  0.356007  1
  Cr  Cr9  1  0.852994  0.112626  0.376140  1
  Cr  Cr10  1  0.279559  0.687004  0.345776  1
  Cr  Cr11  1  0.994756  0.636802  0.366192  1
  Cr  Cr12  1  0.709775  0.587739  0.386962  1
  Cr  Cr13  1  0.711066  0.913572  0.460002  1
  Cr  Cr14  1  0.281823  0.013009  0.418227  1
  Cr  Cr15  1  0.996416  0.962801  0.439360  1
  Cr  Cr16  1  0.424234  0.537469  0.407689  1
  Cr  Cr17  1  0.138866  0.487744  0.428761  1
  Cr  Cr18  1  0.853598  0.438062  0.449592  1
  Cr  Cr19  1  0.854578  0.764260  0.522836  1
  Cr  Cr20  1  0.425808  0.863921  0.480920  1
  Cr  Cr21  1  0.140204  0.814048  0.501851  1
  Cr  Cr22  1  0.568433  0.388786  0.470479  1
  Cr  Cr23  1  0.283132  0.339075  0.491307  1
  Cr  Cr24  1  0.997412  0.289055  0.512425  1
  Cr  Cr25  1  0.998833  0.615053  0.585560  1
  Cr  Cr26  1  0.569386  0.714715  0.543741  1
  Cr  Cr27  1  0.283979  0.665527  0.564452  1
  Cr  Cr28  1  0.712142  0.239467  0.533236  1
  Cr  Cr29  1  0.426953  0.190115  0.554111  1
  Cr  Cr30  1  0.141723  0.140535  0.574933  1
  Cr  Cr31  1  0.143426  0.466613  0.647438  1
  Cr  Cr32  1  0.712872  0.565667  0.606197  1
  Cr  Cr33  1  0.428654  0.515563  0.627455  1
  Cr  Cr34  1  0.856287  0.090497  0.596128  1
  Cr  Cr35  1  0.570495  0.040681  0.616754  1
  Cr  Cr36  1  0.285445  0.991471  0.637484  1
  Cr  Cr37  1  0.288643  0.309182  0.710681  1
  Cr  Cr38  1  0.858425  0.417226  0.669359  1
  Cr  Cr39  1  0.573065  0.363783  0.689517  1
  Cr  Cr40  1  0.998797  0.942006  0.657634  1
  Cr  Cr41  1  0.712669  0.892056  0.679786  1
  Cr  Cr42  1  0.423164  0.831881  0.700559  1
  Ni  Ni43  1  0.177765  0.119915  0.303978  1
  Ni  Ni44  1  0.897654  0.071478  0.323737  1
  Ni  Ni45  1  0.613201  0.018162  0.345498  1
  Ni  Ni46  1  0.369943  0.927241  0.314141  1
  Ni  Ni47  1  0.088520  0.880064  0.335205  1
  Ni  Ni48  1  0.646317  0.982035  0.294528  1
  Ni  Ni49  1  0.316750  0.642240  0.293872  1
  Ni  Ni50  1  0.037394  0.596556  0.314207  1
  Ni  Ni51  1  0.755086  0.545313  0.334890  1
  Ni  Ni52  1  0.230433  0.404579  0.324444  1
  Ni  Ni53  1  0.795794  0.511840  0.284131  1
  Ni  Ni54  1  0.512973  0.455399  0.303369  1
  Ni  Ni55  1  0.328518  0.969183  0.365935  1
  Ni  Ni56  1  0.042398  0.919099  0.387068  1
  Ni  Ni57  1  0.758041  0.870099  0.407646  1
  Ni  Ni58  1  0.519925  0.779634  0.376495  1
  Ni  Ni59  1  0.233907  0.730472  0.397651  1
  Ni  Ni60  1  0.805172  0.830689  0.355431  1
  Ni  Ni61  1  0.470485  0.493071  0.355365  1
  Ni  Ni62  1  0.185358  0.443726  0.376385  1
  Ni  Ni63  1  0.900202  0.394372  0.397174  1
  Ni  Ni64  1  0.377506  0.254879  0.386748  1
  Ni  Ni65  1  0.947388  0.355240  0.345003  1
  Ni  Ni66  1  0.662208  0.304941  0.365947  1
  Ni  Ni67  1  0.472236  0.820065  0.428590  1
  Ni  Ni68  1  0.186783  0.770418  0.449609  1
  Ni  Ni69  1  0.901071  0.720488  0.470509  1
  Ni  Ni70  1  0.663188  0.631169  0.439236  1
  Ni  Ni71  1  0.377957  0.581333  0.460079  1
  Ni  Ni72  1  0.948517  0.680302  0.418469  1
  Ni  Ni73  1  0.615134  0.345124  0.418109  1
  Ni  Ni74  1  0.329811  0.295308  0.438936  1
  Ni  Ni75  1  0.044128  0.245494  0.460088  1
  Ni  Ni76  1  0.520743  0.106378  0.449727  1
  Ni  Ni77  1  0.091181  0.205325  0.408064  1
  Ni  Ni78  1  0.806498  0.155819  0.428718  1
  Ni  Ni79  1  0.615962  0.671182  0.491341  1
  Ni  Ni80  1  0.330750  0.621567  0.512163  1
  Ni  Ni81  1  0.045044  0.571516  0.533161  1
  Ni  Ni82  1  0.807031  0.481720  0.501948  1
  Ni  Ni83  1  0.521838  0.432430  0.522842  1
  Ni  Ni84  1  0.092354  0.531505  0.481092  1
  Ni  Ni85  1  0.758836  0.195830  0.480854  1
  Ni  Ni86  1  0.473547  0.146500  0.501776  1
  Ni  Ni87  1  0.188120  0.096605  0.522635  1
  Ni  Ni88  1  0.664525  0.957096  0.512395  1
  Ni  Ni89  1  0.235502  0.056630  0.470583  1
  Ni  Ni90  1  0.949714  0.006664  0.491607  1
  Ni  Ni91  1  0.759934  0.521876  0.554016  1
  Ni  Ni92  1  0.474251  0.472476  0.574924  1
  Ni  Ni93  1  0.189797  0.423102  0.595584  1
  Ni  Ni94  1  0.950807  0.332789  0.564802  1
  Ni  Ni95  1  0.665493  0.283081  0.585596  1
  Ni  Ni96  1  0.236529  0.382744  0.543603  1
  Ni  Ni97  1  0.902399  0.046783  0.543703  1
  Ni  Ni98  1  0.617248  0.997039  0.564511  1
  Ni  Ni99  1  0.331750  0.947864  0.585259  1
  Ni  Ni100  1  0.807908  0.807973  0.575220  1
  Ni  Ni101  1  0.379342  0.907691  0.533230  1
  Ni  Ni102  1  0.093536  0.857642  0.554092  1
  Ni  Ni103  1  0.902886  0.373082  0.616958  1
  Ni  Ni104  1  0.618746  0.323267  0.637813  1
  Ni  Ni105  1  0.334071  0.271847  0.658679  1
  Ni  Ni106  1  0.095638  0.184812  0.627267  1
  Ni  Ni107  1  0.810051  0.135137  0.648444  1
  Ni  Ni108  1  0.380614  0.233998  0.606488  1
  Ni  Ni109  1  0.046507  0.897562  0.605979  1
  Ni  Ni110  1  0.759520  0.848528  0.627327  1
  Ni  Ni111  1  0.474959  0.797449  0.648438  1
  Ni  Ni112  1  0.951591  0.659037  0.637791  1
  Ni  Ni113  1  0.521913  0.758176  0.596138  1
  Ni  Ni114  1  0.237861  0.709304  0.616931  1
  Ni  Ni115  1  0.052138  0.225275  0.679273  1
  Ni  Ni116  1  0.771676  0.171125  0.700372  1
  Ni  Ni117  1  0.489452  0.116332  0.719261  1
  Ni  Ni118  1  0.243357  0.031050  0.689629  1
  Ni  Ni119  1  0.968000  0.983509  0.709324  1
  Ni  Ni120  1  0.525877  0.082124  0.668885  1
  Ni  Ni121  1  0.190260  0.748630  0.668833  1
  Ni  Ni122  1  0.912472  0.701343  0.690067  1
  Ni  Ni123  1  0.630166  0.646538  0.709267  1
  Ni  Ni124  1  0.106837  0.510487  0.699518  1
  Ni  Ni125  1  0.669476  0.610509  0.658410  1
  Ni  Ni126  1  0.384510  0.555569  0.679384  1
