# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52883995
_cell_length_b   15.18466579
_cell_length_c   47.86455699
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.69906053
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr40 Ni80'
_cell_volume   3277.51639437
_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  0.018521  0.865960  0.283320  1
  Cr  Cr2  1  0.860204  0.365654  0.303878  1
  Cr  Cr3  1  0.436273  0.119345  0.293101  1
  Cr  Cr4  1  0.285143  0.611843  0.314735  1
  Cr  Cr5  1  0.709745  0.856094  0.327484  1
  Cr  Cr6  1  0.567949  0.345776  0.348994  1
  Cr  Cr7  1  0.143702  0.100830  0.338262  1
  Cr  Cr8  1  0.991445  0.591011  0.359741  1
  Cr  Cr9  1  0.413442  0.835802  0.371142  1
  Cr  Cr10  1  0.260950  0.326564  0.392475  1
  Cr  Cr11  1  0.836728  0.081361  0.381779  1
  Cr  Cr12  1  0.685690  0.571542  0.403407  1
  Cr  Cr13  1  0.108575  0.816776  0.414413  1
  Cr  Cr14  1  0.956991  0.307284  0.436010  1
  Cr  Cr15  1  0.532671  0.062122  0.425244  1
  Cr  Cr16  1  0.381226  0.552384  0.446900  1
  Cr  Cr17  1  0.805023  0.797645  0.457866  1
  Cr  Cr18  1  0.653319  0.288021  0.479543  1
  Cr  Cr19  1  0.229013  0.042882  0.468748  1
  Cr  Cr20  1  0.077531  0.533217  0.490385  1
  Cr  Cr21  1  0.501328  0.778514  0.501337  1
  Cr  Cr22  1  0.349567  0.268760  0.523062  1
  Cr  Cr23  1  0.925280  0.023670  0.512269  1
  Cr  Cr24  1  0.773843  0.514030  0.533835  1
  Cr  Cr25  1  0.197578  0.759401  0.544812  1
  Cr  Cr26  1  0.045935  0.249490  0.566600  1
  Cr  Cr27  1  0.621446  0.004473  0.555815  1
  Cr  Cr28  1  0.470386  0.494790  0.577251  1
  Cr  Cr29  1  0.893823  0.740279  0.588292  1
  Cr  Cr30  1  0.742290  0.230319  0.610167  1
  Cr  Cr31  1  0.317540  0.985231  0.599431  1
  Cr  Cr32  1  0.165338  0.475511  0.620493  1
  Cr  Cr33  1  0.587533  0.721268  0.631643  1
  Cr  Cr34  1  0.435703  0.211327  0.653710  1
  Cr  Cr35  1  0.010677  0.965859  0.643029  1
  Cr  Cr36  1  0.862158  0.456221  0.664167  1
  Cr  Cr37  1  0.281269  0.700586  0.675434  1
  Cr  Cr38  1  0.143150  0.192641  0.698824  1
  Cr  Cr39  1  0.717907  0.945432  0.687952  1
  Cr  Cr40  1  0.568755  0.439316  0.709294  1
  Ni  Ni41  1  0.386386  0.281252  0.302478  1
  Ni  Ni42  1  0.237324  0.773129  0.324843  1
  Ni  Ni43  1  0.910828  0.201705  0.299026  1
  Ni  Ni44  1  0.761252  0.695512  0.319914  1
  Ni  Ni45  1  0.962882  0.034465  0.291698  1
  Ni  Ni46  1  0.810485  0.527527  0.313365  1
  Ni  Ni47  1  0.487707  0.955476  0.288687  1
  Ni  Ni48  1  0.334970  0.448008  0.309817  1
  Ni  Ni49  1  0.088876  0.262079  0.345316  1
  Ni  Ni50  1  0.937448  0.751581  0.367464  1
  Ni  Ni51  1  0.612888  0.184355  0.341936  1
  Ni  Ni52  1  0.462957  0.674174  0.363647  1
  Ni  Ni53  1  0.665353  0.017257  0.334705  1
  Ni  Ni54  1  0.513027  0.507146  0.356155  1
  Ni  Ni55  1  0.186533  0.940052  0.331575  1
  Ni  Ni56  1  0.037203  0.429606  0.352690  1
  Ni  Ni57  1  0.786637  0.242407  0.388796  1
  Ni  Ni58  1  0.634664  0.732507  0.410663  1
  Ni  Ni59  1  0.310404  0.165546  0.385416  1
  Ni  Ni60  1  0.159138  0.655570  0.407224  1
  Ni  Ni61  1  0.362258  0.997166  0.378127  1
  Ni  Ni62  1  0.210959  0.487566  0.399587  1
  Ni  Ni63  1  0.885738  0.920105  0.374624  1
  Ni  Ni64  1  0.734743  0.410661  0.396196  1
  Ni  Ni65  1  0.482945  0.223221  0.432329  1
  Ni  Ni66  1  0.331232  0.713509  0.454104  1
  Ni  Ni67  1  0.006811  0.146200  0.428944  1
  Ni  Ni68  1  0.855079  0.636499  0.450686  1
  Ni  Ni69  1  0.058641  0.977940  0.421545  1
  Ni  Ni70  1  0.907363  0.468333  0.443145  1
  Ni  Ni71  1  0.582700  0.900969  0.418180  1
  Ni  Ni72  1  0.431068  0.391338  0.439725  1
  Ni  Ni73  1  0.179222  0.203965  0.475852  1
  Ni  Ni74  1  0.027585  0.694379  0.497556  1
  Ni  Ni75  1  0.703043  0.126946  0.472458  1
  Ni  Ni76  1  0.551350  0.617368  0.494136  1
  Ni  Ni77  1  0.755077  0.958787  0.465037  1
  Ni  Ni78  1  0.603565  0.449117  0.486643  1
  Ni  Ni79  1  0.278853  0.881768  0.461628  1
  Ni  Ni80  1  0.127370  0.372099  0.483240  1
  Ni  Ni81  1  0.875499  0.184712  0.519386  1
  Ni  Ni82  1  0.723923  0.675251  0.540990  1
  Ni  Ni83  1  0.399305  0.107699  0.515990  1
  Ni  Ni84  1  0.247719  0.598230  0.537569  1
  Ni  Ni85  1  0.451359  0.939606  0.508531  1
  Ni  Ni86  1  0.299849  0.429880  0.530125  1
  Ni  Ni87  1  0.975109  0.862599  0.505116  1
  Ni  Ni88  1  0.823657  0.352851  0.526733  1
  Ni  Ni89  1  0.571823  0.165471  0.562938  1
  Ni  Ni90  1  0.420159  0.656114  0.584374  1
  Ni  Ni91  1  0.095601  0.088447  0.559548  1
  Ni  Ni92  1  0.944177  0.579170  0.580950  1
  Ni  Ni93  1  0.147570  0.920458  0.552050  1
  Ni  Ni94  1  0.996032  0.410600  0.573569  1
  Ni  Ni95  1  0.671287  0.843442  0.548623  1
  Ni  Ni96  1  0.520083  0.333584  0.570236  1
  Ni  Ni97  1  0.268343  0.146179  0.606501  1
  Ni  Ni98  1  0.117395  0.636899  0.627790  1
  Ni  Ni99  1  0.792054  0.069318  0.603134  1
  Ni  Ni100  1  0.640903  0.560004  0.624155  1
  Ni  Ni101  1  0.843455  0.901322  0.595576  1
  Ni  Ni102  1  0.692662  0.391405  0.617116  1
  Ni  Ni103  1  0.367367  0.824405  0.592152  1
  Ni  Ni104  1  0.216711  0.314388  0.613760  1
  Ni  Ni105  1  0.966052  0.127438  0.650026  1
  Ni  Ni106  1  0.814902  0.617235  0.670293  1
  Ni  Ni107  1  0.489679  0.049880  0.646615  1
  Ni  Ni108  1  0.343103  0.538308  0.666964  1
  Ni  Ni109  1  0.540764  0.882155  0.639306  1
  Ni  Ni110  1  0.391666  0.372594  0.660524  1
  Ni  Ni111  1  0.062674  0.805103  0.635533  1
  Ni  Ni112  1  0.915219  0.295090  0.657310  1
  Ni  Ni113  1  0.668252  0.109628  0.692921  1
  Ni  Ni114  1  0.518954  0.604622  0.712902  1
  Ni  Ni115  1  0.192384  0.030168  0.689451  1
  Ni  Ni116  1  0.041972  0.529483  0.710273  1
  Ni  Ni117  1  0.243271  0.862399  0.682334  1
  Ni  Ni118  1  0.093414  0.358284  0.703531  1
  Ni  Ni119  1  0.765293  0.781836  0.679231  1
  Ni  Ni120  1  0.617562  0.276964  0.700185  1
