# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.51874076
_cell_length_b   23.63027173
_cell_length_c   46.72465540
_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   'Cr36 Ni72'
_cell_volume   2780.98273425
_cell_formula_units_Z   36
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  1.001373  0.122017  0.321847  1
  Cr  Cr2  1  1.001373  0.823653  0.267623  1
  Cr  Cr3  1  1.001373  0.476773  0.291573  1
  Cr  Cr4  1  0.501373  0.946660  0.334487  1
  Cr  Cr5  1  0.501373  0.649845  0.279562  1
  Cr  Cr6  1  0.501373  0.297586  0.306446  1
  Cr  Cr7  1  1.001373  0.072181  0.397457  1
  Cr  Cr8  1  1.001373  0.772021  0.346664  1
  Cr  Cr9  1  1.001373  0.421739  0.372029  1
  Cr  Cr10  1  0.501373  0.896814  0.410439  1
  Cr  Cr11  1  0.501373  0.596542  0.359460  1
  Cr  Cr12  1  0.501373  0.247315  0.384566  1
  Cr  Cr13  1  1.001373  0.021182  0.474542  1
  Cr  Cr14  1  1.001373  0.721655  0.423222  1
  Cr  Cr15  1  1.001373  0.371604  0.448543  1
  Cr  Cr16  1  0.501373  0.846117  0.487363  1
  Cr  Cr17  1  0.501373  0.546673  0.435747  1
  Cr  Cr18  1  0.501373  0.196380  0.461620  1
  Cr  Cr19  1  1.001373  0.970482  0.551549  1
  Cr  Cr20  1  1.001373  0.671054  0.500098  1
  Cr  Cr21  1  1.001373  0.320939  0.525436  1
  Cr  Cr22  1  0.501373  0.795437  0.564398  1
  Cr  Cr23  1  0.501373  0.496025  0.512742  1
  Cr  Cr24  1  0.501373  0.145689  0.538328  1
  Cr  Cr25  1  1.001373  0.920440  0.628055  1
  Cr  Cr26  1  1.001373  0.620431  0.577031  1
  Cr  Cr27  1  1.001373  0.269854  0.602409  1
  Cr  Cr28  1  0.501373  0.745428  0.640954  1
  Cr  Cr29  1  0.501373  0.445200  0.589766  1
  Cr  Cr30  1  0.501373  0.094833  0.615471  1
  Cr  Cr31  1  1.001373  0.865704  0.708509  1
  Cr  Cr32  1  1.001373  0.570293  0.653156  1
  Cr  Cr33  1  1.001373  0.220423  0.678101  1
  Cr  Cr34  1  0.501373  0.692821  0.720123  1
  Cr  Cr35  1  0.501373  0.395641  0.664926  1
  Cr  Cr36  1  0.501373  0.044886  0.693577  1
  Ni  Ni37  1  0.501373  0.849291  0.316742  1
  Ni  Ni38  1  0.501373  0.498469  0.341513  1
  Ni  Ni39  1  0.501373  0.197755  0.290942  1
  Ni  Ni40  1  1.001373  0.923005  0.286618  1
  Ni  Ni41  1  1.001373  0.573123  0.312128  1
  Ni  Ni42  1  1.001373  0.221158  0.337381  1
  Ni  Ni43  1  1.001373  0.023409  0.304189  1
  Ni  Ni44  1  1.001373  0.673840  0.329557  1
  Ni  Ni45  1  1.001373  0.375435  0.278515  1
  Ni  Ni46  1  0.501373  0.094694  0.274907  1
  Ni  Ni47  1  0.501373  0.746966  0.299642  1
  Ni  Ni48  1  0.501373  0.397783  0.324258  1
  Ni  Ni49  1  0.501373  0.798149  0.393743  1
  Ni  Ni50  1  0.501373  0.448173  0.419045  1
  Ni  Ni51  1  0.501373  0.148848  0.368109  1
  Ni  Ni52  1  1.001373  0.870341  0.363381  1
  Ni  Ni53  1  1.001373  0.520214  0.388435  1
  Ni  Ni54  1  1.001373  0.170600  0.414461  1
  Ni  Ni55  1  1.001373  0.973458  0.381100  1
  Ni  Ni56  1  1.001373  0.623161  0.406398  1
  Ni  Ni57  1  1.001373  0.324009  0.354222  1
  Ni  Ni58  1  0.501373  0.045425  0.350431  1
  Ni  Ni59  1  0.501373  0.695300  0.375986  1
  Ni  Ni60  1  0.501373  0.345476  0.401263  1
  Ni  Ni61  1  0.501373  0.747657  0.470492  1
  Ni  Ni62  1  0.501373  0.397589  0.495829  1
  Ni  Ni63  1  0.501373  0.097893  0.444757  1
  Ni  Ni64  1  1.001373  0.820146  0.440154  1
  Ni  Ni65  1  1.001373  0.470080  0.465496  1
  Ni  Ni66  1  1.001373  0.119664  0.491246  1
  Ni  Ni67  1  1.001373  0.922737  0.457695  1
  Ni  Ni68  1  1.001373  0.572608  0.483126  1
  Ni  Ni69  1  1.001373  0.273083  0.431811  1
  Ni  Ni70  1  0.501373  0.995378  0.427372  1
  Ni  Ni71  1  0.501373  0.645055  0.452861  1
  Ni  Ni72  1  0.501373  0.294970  0.478270  1
  Ni  Ni73  1  0.501373  0.697028  0.547358  1
  Ni  Ni74  1  0.501373  0.346727  0.572548  1
  Ni  Ni75  1  0.501373  0.047093  0.521735  1
  Ni  Ni76  1  1.001373  0.769504  0.517046  1
  Ni  Ni77  1  1.001373  0.419405  0.542389  1
  Ni  Ni78  1  1.001373  0.069026  0.568203  1
  Ni  Ni79  1  1.001373  0.872026  0.534611  1
  Ni  Ni80  1  1.001373  0.521924  0.559981  1
  Ni  Ni81  1  1.001373  0.222427  0.508712  1
  Ni  Ni82  1  0.501373  0.944552  0.504249  1
  Ni  Ni83  1  0.501373  0.594450  0.529706  1
  Ni  Ni84  1  0.501373  0.244167  0.555174  1
  Ni  Ni85  1  0.501373  0.646928  0.624225  1
  Ni  Ni86  1  0.501373  0.296678  0.649415  1
  Ni  Ni87  1  0.501373  0.996669  0.598797  1
  Ni  Ni88  1  1.001373  0.719003  0.593848  1
  Ni  Ni89  1  1.001373  0.368544  0.618721  1
  Ni  Ni90  1  1.001373  0.018237  0.645824  1
  Ni  Ni91  1  1.001373  0.821831  0.611750  1
  Ni  Ni92  1  1.001373  0.471972  0.636909  1
  Ni  Ni93  1  1.001373  0.171429  0.585489  1
  Ni  Ni94  1  0.501373  0.893910  0.581081  1
  Ni  Ni95  1  0.501373  0.543873  0.606337  1
  Ni  Ni96  1  0.501373  0.193337  0.631837  1
  Ni  Ni97  1  0.501373  0.593772  0.700938  1
  Ni  Ni98  1  0.501373  0.248157  0.724930  1
  Ni  Ni99  1  0.501373  0.944593  0.675809  1
  Ni  Ni100  1  1.001373  0.667645  0.670847  1
  Ni  Ni101  1  1.001373  0.319319  0.695553  1
  Ni  Ni102  1  1.001373  0.967064  0.721533  1
  Ni  Ni103  1  1.001373  0.769363  0.687945  1
  Ni  Ni104  1  1.001373  0.419424  0.712545  1
  Ni  Ni105  1  1.001373  0.121215  0.662630  1
  Ni  Ni106  1  0.501373  0.843835  0.658577  1
  Ni  Ni107  1  0.501373  0.493036  0.683690  1
  Ni  Ni108  1  0.501373  0.144797  0.709052  1
