# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34374861
_cell_length_b   15.36288013
_cell_length_c   46.25314663
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr32 Ni64'
_cell_volume   2376.00605838
_cell_formula_units_Z   32
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  0.513287  0.856969  0.271941  1
  Cr  Cr2  1  0.513287  0.341956  0.297901  1
  Cr  Cr3  1  1.013287  0.084612  0.313088  1
  Cr  Cr4  1  1.013287  0.602367  0.284891  1
  Cr  Cr5  1  0.513287  0.828004  0.326939  1
  Cr  Cr6  1  0.513287  0.314610  0.353752  1
  Cr  Cr7  1  1.013287  0.057232  0.368102  1
  Cr  Cr8  1  1.013287  0.571253  0.340461  1
  Cr  Cr9  1  0.513287  0.799835  0.382352  1
  Cr  Cr10  1  0.513287  0.285551  0.409744  1
  Cr  Cr11  1  1.013287  0.028460  0.423922  1
  Cr  Cr12  1  1.013287  0.542491  0.395956  1
  Cr  Cr13  1  0.513287  0.771050  0.437993  1
  Cr  Cr14  1  0.513287  0.256770  0.465649  1
  Cr  Cr15  1  1.013287  -0.000414  0.479696  1
  Cr  Cr16  1  1.013287  0.513804  0.451779  1
  Cr  Cr17  1  0.513287  0.742238  0.493694  1
  Cr  Cr18  1  0.513287  0.227975  0.521493  1
  Cr  Cr19  1  1.013287  0.970736  0.535442  1
  Cr  Cr20  1  1.013287  0.485076  0.507575  1
  Cr  Cr21  1  0.513287  0.713414  0.549444  1
  Cr  Cr22  1  0.513287  0.199126  0.577303  1
  Cr  Cr23  1  1.013287  0.941996  0.591206  1
  Cr  Cr24  1  1.013287  0.456294  0.563372  1
  Cr  Cr25  1  0.513287  0.684645  0.605256  1
  Cr  Cr26  1  0.513287  0.169979  0.633158  1
  Cr  Cr27  1  1.013287  0.913468  0.646634  1
  Cr  Cr28  1  1.013287  0.427634  0.619161  1
  Cr  Cr29  1  0.513287  0.656659  0.660427  1
  Cr  Cr30  1  0.513287  0.142834  0.688968  1
  Cr  Cr31  1  1.013287  0.884182  0.702024  1
  Cr  Cr32  1  1.013287  0.398944  0.673652  1
  Ni  Ni33  1  1.013287  0.246450  0.322146  1
  Ni  Ni34  1  1.013287  0.760269  0.295276  1
  Ni  Ni35  1  0.513287  0.178659  0.290565  1
  Ni  Ni36  1  0.513287  0.666532  0.318365  1
  Ni  Ni37  1  0.513287  0.016578  0.281604  1
  Ni  Ni38  1  0.513287  0.504474  0.308748  1
  Ni  Ni39  1  1.013287  0.923017  0.304580  1
  Ni  Ni40  1  1.013287  0.442779  0.277266  1
  Ni  Ni41  1  1.013287  0.218440  0.377273  1
  Ni  Ni42  1  1.013287  0.732389  0.350037  1
  Ni  Ni43  1  0.513287  0.153022  0.345021  1
  Ni  Ni44  1  0.513287  0.638460  0.373188  1
  Ni  Ni45  1  0.513287  0.989339  0.336035  1
  Ni  Ni46  1  0.513287  0.475002  0.363441  1
  Ni  Ni47  1  1.013287  0.895699  0.359321  1
  Ni  Ni48  1  1.013287  0.409839  0.330811  1
  Ni  Ni49  1  1.013287  0.189517  0.433088  1
  Ni  Ni50  1  1.013287  0.703713  0.405512  1
  Ni  Ni51  1  0.513287  0.124512  0.400631  1
  Ni  Ni52  1  0.513287  0.609747  0.428721  1
  Ni  Ni53  1  0.513287  0.961200  0.391492  1
  Ni  Ni54  1  0.513287  0.446526  0.419158  1
  Ni  Ni55  1  1.013287  0.867202  0.414851  1
  Ni  Ni56  1  1.013287  0.381414  0.386658  1
  Ni  Ni57  1  1.013287  0.160734  0.488891  1
  Ni  Ni58  1  1.013287  0.674915  0.461150  1
  Ni  Ni59  1  0.513287  0.095692  0.456461  1
  Ni  Ni60  1  0.513287  0.581070  0.484444  1
  Ni  Ni61  1  0.513287  0.932310  0.447199  1
  Ni  Ni62  1  0.513287  0.417797  0.474947  1
  Ni  Ni63  1  1.013287  0.838362  0.470513  1
  Ni  Ni64  1  1.013287  0.352739  0.442465  1
  Ni  Ni65  1  1.013287  0.131930  0.544650  1
  Ni  Ni66  1  1.013287  0.646153  0.516883  1
  Ni  Ni67  1  0.513287  0.066865  0.512224  1
  Ni  Ni68  1  0.513287  0.552337  0.540212  1
  Ni  Ni69  1  0.513287  0.903460  0.502898  1
  Ni  Ni70  1  0.513287  0.389068  0.530734  1
  Ni  Ni71  1  1.013287  0.809546  0.526214  1
  Ni  Ni72  1  1.013287  0.324002  0.498275  1
  Ni  Ni73  1  1.013287  0.103175  0.600353  1
  Ni  Ni74  1  1.013287  0.617378  0.572690  1
  Ni  Ni75  1  0.513287  0.038035  0.567943  1
  Ni  Ni76  1  0.513287  0.523516  0.595982  1
  Ni  Ni77  1  0.513287  0.874668  0.558603  1
  Ni  Ni78  1  0.513287  0.360324  0.586544  1
  Ni  Ni79  1  1.013287  0.780670  0.581914  1
  Ni  Ni80  1  1.013287  0.295264  0.554050  1
  Ni  Ni81  1  1.013287  0.074945  0.656097  1
  Ni  Ni82  1  1.013287  0.588814  0.628385  1
  Ni  Ni83  1  0.513287  0.009573  0.623582  1
  Ni  Ni84  1  0.513287  0.495546  0.651445  1
  Ni  Ni85  1  0.513287  0.846012  0.614144  1
  Ni  Ni86  1  0.513287  0.331389  0.641876  1
  Ni  Ni87  1  1.013287  0.752234  0.637445  1
  Ni  Ni88  1  1.013287  0.266197  0.609695  1
  Ni  Ni89  1  1.013287  0.043062  0.709759  1
  Ni  Ni90  1  1.013287  0.562172  0.683525  1
  Ni  Ni91  1  0.513287  0.980887  0.678185  1
  Ni  Ni92  1  0.513287  0.465653  0.704946  1
  Ni  Ni93  1  0.513287  0.818340  0.668973  1
  Ni  Ni94  1  0.513287  0.305310  0.696376  1
  Ni  Ni95  1  1.013287  0.724524  0.691881  1
  Ni  Ni96  1  1.013287  0.237933  0.664720  1
