# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28145416
_cell_length_b   7.93534563
_cell_length_c   47.46643657
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.89023635
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr22 Ni44'
_cell_volume   1582.4420029
_cell_formula_units_Z   22
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  0.138095  0.510828  0.295365  1
  Cr  Cr2  1  0.824285  0.038855  0.276284  1
  Cr  Cr3  1  0.806396  0.441378  0.337185  1
  Cr  Cr4  1  0.462726  0.975940  0.316073  1
  Cr  Cr5  1  0.474335  0.370771  0.378831  1
  Cr  Cr6  1  0.140869  0.905615  0.358427  1
  Cr  Cr7  1  0.141811  0.302248  0.420705  1
  Cr  Cr8  1  0.806163  0.836883  0.399650  1
  Cr  Cr9  1  0.808902  0.232808  0.462355  1
  Cr  Cr10  1  0.475674  0.767318  0.441586  1
  Cr  Cr11  1  0.476609  0.163840  0.504163  1
  Cr  Cr12  1  0.142407  0.698443  0.483266  1
  Cr  Cr13  1  0.144021  0.094722  0.545889  1
  Cr  Cr14  1  0.810113  0.629172  0.525056  1
  Cr  Cr15  1  0.811742  0.025659  0.587612  1
  Cr  Cr16  1  0.477143  0.560233  0.566818  1
  Cr  Cr17  1  0.480563  0.956208  0.629315  1
  Cr  Cr18  1  0.145166  0.490847  0.608665  1
  Cr  Cr19  1  0.149369  0.887305  0.670688  1
  Cr  Cr20  1  0.811072  0.421896  0.650307  1
  Cr  Cr21  1  0.828632  0.818460  0.712487  1
  Cr  Cr22  1  0.482361  0.351753  0.691939  1
  Ni  Ni23  1  0.694565  0.350467  0.289329  1
  Ni  Ni24  1  0.252295  0.199539  0.282437  1
  Ni  Ni25  1  0.020025  0.816989  0.310951  1
  Ni  Ni26  1  0.575108  0.665658  0.302883  1
  Ni  Ni27  1  0.357551  0.285002  0.330049  1
  Ni  Ni28  1  0.910326  0.132534  0.323935  1
  Ni  Ni29  1  0.692853  0.749406  0.351052  1
  Ni  Ni30  1  0.250018  0.595490  0.344335  1
  Ni  Ni31  1  0.029585  0.215004  0.372078  1
  Ni  Ni32  1  0.582557  0.062154  0.364763  1
  Ni  Ni33  1  0.362701  0.679608  0.392887  1
  Ni  Ni34  1  0.917217  0.527836  0.385969  1
  Ni  Ni35  1  0.696944  0.145362  0.413542  1
  Ni  Ni36  1  0.251641  0.993100  0.406937  1
  Ni  Ni37  1  0.030925  0.611215  0.434504  1
  Ni  Ni38  1  0.585658  0.458266  0.427693  1
  Ni  Ni39  1  0.365024  0.076439  0.455435  1
  Ni  Ni40  1  0.919259  0.923944  0.448500  1
  Ni  Ni41  1  0.698580  0.541773  0.476270  1
  Ni  Ni42  1  0.252935  0.389479  0.469444  1
  Ni  Ni43  1  0.032253  0.007324  0.497117  1
  Ni  Ni44  1  0.586742  0.854792  0.490333  1
  Ni  Ni45  1  0.366194  0.472902  0.517996  1
  Ni  Ni46  1  0.920712  0.320258  0.511157  1
  Ni  Ni47  1  0.699799  0.938158  0.538901  1
  Ni  Ni48  1  0.254068  0.785754  0.532053  1
  Ni  Ni49  1  0.033878  0.403761  0.559744  1
  Ni  Ni50  1  0.588298  0.251291  0.552875  1
  Ni  Ni51  1  0.367172  0.869069  0.580638  1
  Ni  Ni52  1  0.921441  0.716461  0.573830  1
  Ni  Ni53  1  0.701881  0.334907  0.601391  1
  Ni  Ni54  1  0.256685  0.182176  0.594600  1
  Ni  Ni55  1  0.035305  0.799779  0.622338  1
  Ni  Ni56  1  0.589364  0.647529  0.615632  1
  Ni  Ni57  1  0.371419  0.265855  0.643139  1
  Ni  Ni58  1  0.925973  0.113656  0.636170  1
  Ni  Ni59  1  0.706097  0.730168  0.664214  1
  Ni  Ni60  1  0.257879  0.578190  0.657401  1
  Ni  Ni61  1  0.046414  0.196737  0.684351  1
  Ni  Ni62  1  0.600356  0.042635  0.677468  1
  Ni  Ni63  1  0.381772  0.665910  0.705048  1
  Ni  Ni64  1  0.933602  0.507381  0.698558  1
  Ni  Ni65  1  0.732131  0.130392  0.724527  1
  Ni  Ni66  1  0.280545  0.981358  0.718346  1
