# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28647385
_cell_length_b   15.23560082
_cell_length_c   46.67838773
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.24182916
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr40 Ni80'
_cell_volume   3033.04399116
_cell_formula_units_Z   40
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  0.012548  0.872287  0.306873  1
  Cr  Cr2  1  0.211155  0.378643  0.287087  1
  Cr  Cr3  1  0.421949  0.118942  0.317672  1
  Cr  Cr4  1  0.606120  0.626056  0.296053  1
  Cr  Cr5  1  0.670384  0.854211  0.350500  1
  Cr  Cr6  1  0.831042  0.363646  0.328600  1
  Cr  Cr7  1  0.082686  0.099776  0.361262  1
  Cr  Cr8  1  0.255796  0.608839  0.339783  1
  Cr  Cr9  1  0.319300  0.835958  0.393762  1
  Cr  Cr10  1  0.493908  0.344831  0.372801  1
  Cr  Cr11  1  0.732860  0.081018  0.404830  1
  Cr  Cr12  1  0.905590  0.590310  0.382980  1
  Cr  Cr13  1  0.970649  0.817545  0.437418  1
  Cr  Cr14  1  0.142406  0.326682  0.415762  1
  Cr  Cr15  1  0.383043  0.062987  0.448328  1
  Cr  Cr16  1  0.557442  0.572214  0.426803  1
  Cr  Cr17  1  0.621047  0.799288  0.481046  1
  Cr  Cr18  1  0.795096  0.308336  0.459531  1
  Cr  Cr19  1  0.034040  0.044670  0.491950  1
  Cr  Cr20  1  0.207068  0.553781  0.470240  1
  Cr  Cr21  1  0.271384  0.780962  0.524629  1
  Cr  Cr22  1  0.444969  0.290205  0.502973  1
  Cr  Cr23  1  0.684416  0.026508  0.535433  1
  Cr  Cr24  1  0.858119  0.535581  0.513974  1
  Cr  Cr25  1  0.922081  0.762734  0.568254  1
  Cr  Cr26  1  0.095694  0.271987  0.546627  1
  Cr  Cr27  1  0.335703  0.008175  0.578953  1
  Cr  Cr28  1  0.507902  0.517335  0.557523  1
  Cr  Cr29  1  0.574385  0.744542  0.611903  1
  Cr  Cr30  1  0.746109  0.253624  0.590230  1
  Cr  Cr31  1  0.987822  0.989926  0.622399  1
  Cr  Cr32  1  0.159935  0.498948  0.601311  1
  Cr  Cr33  1  0.225549  0.726357  0.655140  1
  Cr  Cr34  1  0.393550  0.235445  0.633722  1
  Cr  Cr35  1  0.642666  0.971488  0.665591  1
  Cr  Cr36  1  0.807357  0.480946  0.644502  1
  Cr  Cr37  1  0.887895  0.708822  0.698802  1
  Cr  Cr38  1  0.046952  0.215848  0.677204  1
  Cr  Cr39  1  0.310403  0.954451  0.709250  1
  Cr  Cr40  1  0.466529  0.462104  0.688179  1
  Ni  Ni41  1  0.359774  0.280656  0.326959  1
  Ni  Ni42  1  0.539083  0.789719  0.304095  1
  Ni  Ni43  1  0.887517  0.200925  0.321960  1
  Ni  Ni44  1  0.070025  0.707801  0.300491  1
  Ni  Ni45  1  0.947986  0.036001  0.314898  1
  Ni  Ni46  1  0.134879  0.542355  0.293471  1
  Ni  Ni47  1  0.477970  0.954412  0.311346  1
  Ni  Ni48  1  0.666776  0.462751  0.289718  1
  Ni  Ni49  1  0.019377  0.262282  0.368729  1
  Ni  Ni50  1  0.196212  0.771930  0.346666  1
  Ni  Ni51  1  0.551282  0.181168  0.365249  1
  Ni  Ni52  1  0.724409  0.691170  0.343117  1
  Ni  Ni53  1  0.609012  0.017398  0.357478  1
  Ni  Ni54  1  0.779746  0.526443  0.335918  1
  Ni  Ni55  1  0.137707  0.936722  0.353903  1
  Ni  Ni56  1  0.306190  0.446316  0.333094  1
  Ni  Ni57  1  0.672597  0.243864  0.412362  1
  Ni  Ni58  1  0.848316  0.753196  0.390254  1
  Ni  Ni59  1  0.201649  0.163728  0.408594  1
  Ni  Ni60  1  0.376700  0.673080  0.386782  1
  Ni  Ni61  1  0.261590  0.998732  0.401053  1
  Ni  Ni62  1  0.434854  0.507910  0.379804  1
  Ni  Ni63  1  0.790105  0.918486  0.397527  1
  Ni  Ni64  1  0.961975  0.427140  0.375750  1
  Ni  Ni65  1  0.324131  0.225965  0.455699  1
  Ni  Ni66  1  0.499568  0.735137  0.433852  1
  Ni  Ni67  1  0.853304  0.145345  0.452180  1
  Ni  Ni68  1  0.027975  0.654559  0.430267  1
  Ni  Ni69  1  0.912826  0.980411  0.444706  1
  Ni  Ni70  1  0.085281  0.489504  0.422996  1
  Ni  Ni71  1  0.441287  0.900071  0.441056  1
  Ni  Ni72  1  0.614345  0.409170  0.419750  1
  Ni  Ni73  1  0.975294  0.207661  0.499294  1
  Ni  Ni74  1  0.149884  0.716710  0.477415  1
  Ni  Ni75  1  0.504017  0.127265  0.495619  1
  Ni  Ni76  1  0.678382  0.636395  0.473955  1
  Ni  Ni77  1  0.563311  0.962208  0.488213  1
  Ni  Ni78  1  0.736578  0.471338  0.466782  1
  Ni  Ni79  1  0.091977  0.881737  0.484667  1
  Ni  Ni80  1  0.264876  0.390907  0.463073  1
  Ni  Ni81  1  0.626150  0.189522  0.542754  1
  Ni  Ni82  1  0.800592  0.698473  0.521071  1
  Ni  Ni83  1  0.155100  0.108996  0.539149  1
  Ni  Ni84  1  0.328931  0.618075  0.517489  1
  Ni  Ni85  1  0.213964  0.943895  0.531791  1
  Ni  Ni86  1  0.386869  0.453057  0.510267  1
  Ni  Ni87  1  0.742431  0.863519  0.528229  1
  Ni  Ni88  1  0.915632  0.372692  0.506780  1
  Ni  Ni89  1  0.277401  0.171281  0.586214  1
  Ni  Ni90  1  0.451109  0.680283  0.564639  1
  Ni  Ni91  1  0.806577  0.090781  0.582596  1
  Ni  Ni92  1  0.979602  0.599761  0.561162  1
  Ni  Ni93  1  0.864885  0.925707  0.575290  1
  Ni  Ni94  1  0.037318  0.434849  0.553973  1
  Ni  Ni95  1  0.393400  0.845178  0.571793  1
  Ni  Ni96  1  0.565791  0.354401  0.550310  1
  Ni  Ni97  1  0.929438  0.153053  0.629698  1
  Ni  Ni98  1  0.103241  0.661913  0.608208  1
  Ni  Ni99  1  0.459121  0.072673  0.625933  1
  Ni  Ni100  1  0.631234  0.581778  0.604678  1
  Ni  Ni101  1  0.517350  0.907347  0.618793  1
  Ni  Ni102  1  0.688017  0.416472  0.597481  1
  Ni  Ni103  1  0.045709  0.827175  0.615327  1
  Ni  Ni104  1  0.216491  0.336254  0.593992  1
  Ni  Ni105  1  0.588068  0.134291  0.672585  1
  Ni  Ni106  1  0.756390  0.644021  0.651812  1
  Ni  Ni107  1  0.118354  0.053277  0.669089  1
  Ni  Ni108  1  0.283693  0.563156  0.648313  1
  Ni  Ni109  1  0.173956  0.889248  0.662331  1
  Ni  Ni110  1  0.338746  0.398129  0.641300  1
  Ni  Ni111  1  0.701502  0.808704  0.658927  1
  Ni  Ni112  1  0.865525  0.317812  0.637549  1
  Ni  Ni113  1  0.265192  0.117929  0.714718  1
  Ni  Ni114  1  0.418197  0.626511  0.694396  1
  Ni  Ni115  1  0.788577  0.039766  0.711600  1
  Ni  Ni116  1  0.944390  0.545032  0.690824  1
  Ni  Ni117  1  0.839386  0.873811  0.705018  1
  Ni  Ni118  1  0.996187  0.380299  0.683723  1
  Ni  Ni119  1  0.365594  0.791159  0.701449  1
  Ni  Ni120  1  0.522663  0.297877  0.680617  1
