# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53068570
_cell_length_b   22.60566834
_cell_length_c   46.02366355
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.44141580
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr60 Ni120'
_cell_volume   4704.61709104
_cell_formula_units_Z   60
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  0.152933  0.942455  0.273099  1
  Cr  Cr2  1  0.045184  0.278703  0.286945  1
  Cr  Cr3  1  0.943176  0.609797  0.302015  1
  Cr  Cr4  1  0.596443  0.112943  0.279458  1
  Cr  Cr5  1  0.494136  0.444244  0.294486  1
  Cr  Cr6  1  0.393024  0.775500  0.309563  1
  Cr  Cr7  1  0.842285  0.940185  0.319153  1
  Cr  Cr8  1  0.749705  0.270018  0.334146  1
  Cr  Cr9  1  0.647761  0.600631  0.349178  1
  Cr  Cr10  1  0.300782  0.105015  0.326668  1
  Cr  Cr11  1  0.198720  0.435317  0.341670  1
  Cr  Cr12  1  0.095995  0.765870  0.356633  1
  Cr  Cr13  1  0.542581  0.930851  0.364794  1
  Cr  Cr14  1  0.439462  0.261479  0.379579  1
  Cr  Cr15  1  0.337476  0.591936  0.394589  1
  Cr  Cr16  1  0.990590  0.096276  0.372163  1
  Cr  Cr17  1  0.888416  0.426695  0.387073  1
  Cr  Cr18  1  0.786970  0.757053  0.402265  1
  Cr  Cr19  1  0.234540  0.922329  0.410014  1
  Cr  Cr20  1  0.132263  0.252864  0.425083  1
  Cr  Cr21  1  0.030333  0.583244  0.440080  1
  Cr  Cr22  1  0.683314  0.087661  0.417590  1
  Cr  Cr23  1  0.581262  0.418047  0.432575  1
  Cr  Cr24  1  0.479278  0.748444  0.447707  1
  Cr  Cr25  1  0.927762  0.913753  0.455416  1
  Cr  Cr26  1  0.825437  0.244227  0.470601  1
  Cr  Cr27  1  0.723486  0.574581  0.485572  1
  Cr  Cr28  1  0.376436  0.079035  0.463054  1
  Cr  Cr29  1  0.274470  0.409395  0.478094  1
  Cr  Cr30  1  0.172365  0.739838  0.493139  1
  Cr  Cr31  1  0.620821  0.905173  0.500832  1
  Cr  Cr32  1  0.518479  0.235587  0.516109  1
  Cr  Cr33  1  0.416573  0.565930  0.531049  1
  Cr  Cr34  1  0.069456  0.070416  0.508529  1
  Cr  Cr35  1  0.967564  0.400752  0.523602  1
  Cr  Cr36  1  0.865460  0.731220  0.538535  1
  Cr  Cr37  1  0.313813  0.896597  0.546251  1
  Cr  Cr38  1  0.211651  0.226940  0.561636  1
  Cr  Cr39  1  0.109810  0.557296  0.576544  1
  Cr  Cr40  1  0.762324  0.061787  0.554022  1
  Cr  Cr41  1  0.660852  0.392131  0.569134  1
  Cr  Cr42  1  0.558799  0.722571  0.583900  1
  Cr  Cr43  1  0.006789  0.887997  0.591675  1
  Cr  Cr44  1  0.904501  0.218290  0.607154  1
  Cr  Cr45  1  0.803013  0.548771  0.622065  1
  Cr  Cr46  1  0.455031  0.053089  0.599578  1
  Cr  Cr47  1  0.353848  0.383560  0.614659  1
  Cr  Cr48  1  0.250571  0.713893  0.629095  1
  Cr  Cr49  1  0.697298  0.879446  0.636975  1
  Cr  Cr50  1  0.594174  0.209647  0.652563  1
  Cr  Cr51  1  0.493313  0.540411  0.667568  1
  Cr  Cr52  1  0.144759  0.044230  0.645116  1
  Cr  Cr53  1  0.043690  0.375089  0.660084  1
  Cr  Cr54  1  0.944298  0.705280  0.674761  1
  Cr  Cr55  1  0.387693  0.869802  0.682779  1
  Cr  Cr56  1  0.298574  0.200622  0.699700  1
  Cr  Cr57  1  0.197755  0.532478  0.714755  1
  Cr  Cr58  1  0.848816  0.034712  0.692112  1
  Cr  Cr59  1  0.748088  0.366352  0.707235  1
  Cr  Cr60  1  0.648064  0.698451  0.721920  1
  Ni  Ni61  1  0.562885  0.222154  0.286772  1
  Ni  Ni62  1  0.460686  0.553266  0.301868  1
  Ni  Ni63  1  0.361453  0.884412  0.317635  1
  Ni  Ni64  1  0.079253  0.168591  0.284399  1
  Ni  Ni65  1  0.977190  0.499842  0.299425  1
  Ni  Ni66  1  0.877574  0.831980  0.313685  1
  Ni  Ni67  1  0.114471  0.056014  0.279280  1
  Ni  Ni68  1  0.011721  0.387748  0.294331  1
  Ni  Ni69  1  0.909787  0.718971  0.309431  1
  Ni  Ni70  1  0.631255  0.002845  0.277349  1
  Ni  Ni71  1  0.528166  0.334312  0.291911  1
  Ni  Ni72  1  0.426291  0.665428  0.306930  1
  Ni  Ni73  1  0.262196  0.213636  0.331564  1
  Ni  Ni74  1  0.160118  0.544153  0.346618  1
  Ni  Ni75  1  0.058137  0.874114  0.362233  1
  Ni  Ni76  1  0.778303  0.161267  0.329238  1
  Ni  Ni77  1  0.676326  0.491807  0.344224  1
  Ni  Ni78  1  0.575858  0.821923  0.359428  1
  Ni  Ni79  1  0.814005  0.048754  0.324217  1
  Ni  Ni80  1  0.711130  0.378829  0.339093  1
  Ni  Ni81  1  0.609043  0.709383  0.354175  1
  Ni  Ni82  1  0.327379  0.996752  0.322132  1
  Ni  Ni83  1  0.227246  0.326495  0.336721  1
  Ni  Ni84  1  0.125469  0.657118  0.351731  1
  Ni  Ni85  1  0.956712  0.204776  0.377027  1
  Ni  Ni86  1  0.854671  0.535195  0.392030  1
  Ni  Ni87  1  0.752150  0.865535  0.407379  1
  Ni  Ni88  1  0.472688  0.152988  0.374680  1
  Ni  Ni89  1  0.370701  0.483426  0.389668  1
  Ni  Ni90  1  0.268881  0.813694  0.404963  1
  Ni  Ni91  1  0.507660  0.039556  0.369624  1
  Ni  Ni92  1  0.405660  0.369967  0.384523  1
  Ni  Ni93  1  0.303752  0.700438  0.399561  1
  Ni  Ni94  1  0.023352  0.987629  0.367149  1
  Ni  Ni95  1  0.921659  0.318191  0.382169  1
  Ni  Ni96  1  0.819805  0.648628  0.397194  1
  Ni  Ni97  1  0.649797  0.196213  0.422530  1
  Ni  Ni98  1  0.547806  0.526586  0.437521  1
  Ni  Ni99  1  0.445511  0.857037  0.452767  1
  Ni  Ni100  1  0.165884  0.144323  0.420177  1
  Ni  Ni101  1  0.063865  0.474698  0.435156  1
  Ni  Ni102  1  0.961597  0.805150  0.450375  1
  Ni  Ni103  1  0.200834  0.030931  0.415003  1
  Ni  Ni104  1  0.098769  0.361395  0.430026  1
  Ni  Ni105  1  0.996950  0.691782  0.445071  1
  Ni  Ni106  1  0.717111  0.979075  0.412665  1
  Ni  Ni107  1  0.614831  0.309508  0.427667  1
  Ni  Ni108  1  0.512892  0.639904  0.442675  1
  Ni  Ni109  1  0.342880  0.187582  0.468023  1
  Ni  Ni110  1  0.240916  0.517928  0.483011  1
  Ni  Ni111  1  0.138629  0.848454  0.498165  1
  Ni  Ni112  1  0.858904  0.135695  0.465655  1
  Ni  Ni113  1  0.756994  0.466040  0.480651  1
  Ni  Ni114  1  0.654638  0.796565  0.495770  1
  Ni  Ni115  1  0.894046  0.022352  0.460450  1
  Ni  Ni116  1  0.791891  0.352754  0.475530  1
  Ni  Ni117  1  0.689946  0.683145  0.490518  1
  Ni  Ni118  1  0.410038  0.970461  0.458065  1
  Ni  Ni119  1  0.307947  0.300868  0.473170  1
  Ni  Ni120  1  0.205998  0.631253  0.488144  1
  Ni  Ni121  1  0.035949  0.178944  0.513527  1
  Ni  Ni122  1  0.934065  0.509280  0.528510  1
  Ni  Ni123  1  0.831726  0.839869  0.543544  1
  Ni  Ni124  1  0.551928  0.127063  0.511148  1
  Ni  Ni125  1  0.450160  0.457390  0.526160  1
  Ni  Ni126  1  0.347783  0.787972  0.541149  1
  Ni  Ni127  1  0.587074  0.013746  0.505894  1
  Ni  Ni128  1  0.485041  0.344111  0.521046  1
  Ni  Ni129  1  0.383037  0.674503  0.535950  1
  Ni  Ni130  1  0.103045  0.961862  0.503500  1
  Ni  Ni131  1  1.001079  0.292227  0.518685  1
  Ni  Ni132  1  0.899104  0.622604  0.533590  1
  Ni  Ni133  1  0.728998  0.170295  0.559038  1
  Ni  Ni134  1  0.627289  0.500665  0.574013  1
  Ni  Ni135  1  0.524737  0.831267  0.588873  1
  Ni  Ni136  1  0.244923  0.118412  0.556655  1
  Ni  Ni137  1  0.143380  0.448769  0.571673  1
  Ni  Ni138  1  0.041040  0.779422  0.586475  1
  Ni  Ni139  1  0.279989  0.005146  0.551360  1
  Ni  Ni140  1  0.178226  0.335481  0.566556  1
  Ni  Ni141  1  0.076042  0.665845  0.581347  1
  Ni  Ni142  1  0.795951  0.953255  0.548952  1
  Ni  Ni143  1  0.694223  0.283597  0.564196  1
  Ni  Ni144  1  0.592356  0.613959  0.579051  1
  Ni  Ni145  1  0.422026  0.161560  0.604544  1
  Ni  Ni146  1  0.320762  0.492063  0.619526  1
  Ni  Ni147  1  0.218798  0.822616  0.634244  1
  Ni  Ni148  1  0.938024  0.109784  0.602176  1
  Ni  Ni149  1  0.836652  0.440286  0.617199  1
  Ni  Ni150  1  0.734599  0.770783  0.631629  1
  Ni  Ni151  1  0.972538  0.996522  0.596833  1
  Ni  Ni152  1  0.871477  0.326819  0.612059  1
  Ni  Ni153  1  0.769536  0.657279  0.626857  1
  Ni  Ni154  1  0.488768  0.944700  0.594427  1
  Ni  Ni155  1  0.387374  0.275048  0.609703  1
  Ni  Ni156  1  0.285822  0.605389  0.624539  1
  Ni  Ni157  1  0.116269  0.153080  0.650007  1
  Ni  Ni158  1  0.015461  0.483950  0.664991  1
  Ni  Ni159  1  0.913104  0.813611  0.678680  1
  Ni  Ni160  1  0.632340  0.100806  0.647580  1
  Ni  Ni161  1  0.531266  0.431621  0.662662  1
  Ni  Ni162  1  0.433485  0.760446  0.676432  1
  Ni  Ni163  1  0.666545  0.987865  0.642532  1
  Ni  Ni164  1  0.565889  0.318537  0.657505  1
  Ni  Ni165  1  0.465494  0.648997  0.672228  1
  Ni  Ni166  1  0.180824  0.935905  0.639760  1
  Ni  Ni167  1  0.081892  0.266198  0.655126  1
  Ni  Ni168  1  0.981204  0.596791  0.670072  1
  Ni  Ni169  1  0.815390  0.144887  0.694806  1
  Ni  Ni170  1  0.714610  0.476469  0.709820  1
  Ni  Ni171  1  0.615021  0.809411  0.723157  1
  Ni  Ni172  1  0.331815  0.091396  0.692345  1
  Ni  Ni173  1  0.230665  0.423045  0.707444  1
  Ni  Ni174  1  0.130386  0.758909  0.721555  1
  Ni  Ni175  1  0.365848  0.978688  0.687519  1
  Ni  Ni176  1  0.264947  0.310687  0.702310  1
  Ni  Ni177  1  0.164624  0.643707  0.717125  1
  Ni  Ni178  1  0.879807  0.924525  0.685507  1
  Ni  Ni179  1  0.781251  0.257194  0.699878  1
  Ni  Ni180  1  0.680551  0.588983  0.714889  1
