# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56598025
_cell_length_b   9.06042314
_cell_length_c   46.83982185
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.33512357
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr48 Ni96'
_cell_volume   3423.28260934
_cell_formula_units_Z   48
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  0.714661  0.144201  0.287551  1
  Cr  Cr2  1  0.214661  0.144201  0.287551  1
  Cr  Cr3  1  0.464661  0.644201  0.287551  1
  Cr  Cr4  1  0.964661  0.644201  0.287551  1
  Cr  Cr5  1  0.582594  0.024105  0.327535  1
  Cr  Cr6  1  0.082594  0.024105  0.327535  1
  Cr  Cr7  1  0.332594  0.524105  0.327535  1
  Cr  Cr8  1  0.832594  0.524105  0.327535  1
  Cr  Cr9  1  0.439006  0.912539  0.364624  1
  Cr  Cr10  1  0.939006  0.912539  0.364624  1
  Cr  Cr11  1  0.189006  0.412539  0.364624  1
  Cr  Cr12  1  0.689006  0.412539  0.364624  1
  Cr  Cr13  1  0.304242  0.796254  0.403987  1
  Cr  Cr14  1  0.804242  0.796254  0.403987  1
  Cr  Cr15  1  0.054242  0.296254  0.403987  1
  Cr  Cr16  1  0.554242  0.296254  0.403987  1
  Cr  Cr17  1  0.163946  0.683381  0.442003  1
  Cr  Cr18  1  0.663946  0.683381  0.442003  1
  Cr  Cr19  1  0.913946  0.183381  0.442003  1
  Cr  Cr20  1  0.413946  0.183381  0.442003  1
  Cr  Cr21  1  0.027804  0.567877  0.481086  1
  Cr  Cr22  1  0.527804  0.567877  0.481086  1
  Cr  Cr23  1  0.777804  0.067877  0.481086  1
  Cr  Cr24  1  0.277804  0.067877  0.481086  1
  Cr  Cr25  1  0.887902  0.454658  0.519164  1
  Cr  Cr26  1  0.387902  0.454658  0.519164  1
  Cr  Cr27  1  0.637902  0.954658  0.519164  1
  Cr  Cr28  1  0.137902  0.954658  0.519164  1
  Cr  Cr29  1  0.751760  0.339155  0.558247  1
  Cr  Cr30  1  0.251760  0.339155  0.558247  1
  Cr  Cr31  1  0.501760  0.839155  0.558247  1
  Cr  Cr32  1  0.001760  0.839155  0.558247  1
  Cr  Cr33  1  0.611465  0.226282  0.596263  1
  Cr  Cr34  1  0.111465  0.226282  0.596263  1
  Cr  Cr35  1  0.361465  0.726282  0.596263  1
  Cr  Cr36  1  0.861465  0.726282  0.596263  1
  Cr  Cr37  1  0.476700  0.109997  0.635626  1
  Cr  Cr38  1  0.976700  0.109997  0.635626  1
  Cr  Cr39  1  0.226700  0.609997  0.635626  1
  Cr  Cr40  1  0.726700  0.609997  0.635626  1
  Cr  Cr41  1  0.333112  0.998430  0.672715  1
  Cr  Cr42  1  0.833112  0.998430  0.672715  1
  Cr  Cr43  1  0.083112  0.498430  0.672715  1
  Cr  Cr44  1  0.583112  0.498430  0.672715  1
  Cr  Cr45  1  0.201046  0.878335  0.712699  1
  Cr  Cr46  1  0.701046  0.878335  0.712699  1
  Cr  Cr47  1  0.951046  0.378335  0.712699  1
  Cr  Cr48  1  0.451046  0.378335  0.712699  1
  Ni  Ni49  1  0.513917  0.002970  0.277484  1
  Ni  Ni50  1  0.013917  0.002970  0.277484  1
  Ni  Ni51  1  0.670710  0.764412  0.301944  1
  Ni  Ni52  1  0.170710  0.764412  0.301944  1
  Ni  Ni53  1  0.763917  0.502970  0.277484  1
  Ni  Ni54  1  0.263917  0.502970  0.277484  1
  Ni  Ni55  1  0.420710  0.264412  0.301944  1
  Ni  Ni56  1  0.920710  0.264412  0.301944  1
  Ni  Ni57  1  0.372426  0.897552  0.313454  1
  Ni  Ni58  1  0.872426  0.897552  0.313454  1
  Ni  Ni59  1  0.531535  0.656339  0.339156  1
  Ni  Ni60  1  0.031535  0.656339  0.339156  1
  Ni  Ni61  1  0.622426  0.397552  0.313454  1
  Ni  Ni62  1  0.122426  0.397552  0.313454  1
  Ni  Ni63  1  0.281535  0.156339  0.339156  1
  Ni  Ni64  1  0.781535  0.156339  0.339156  1
  Ni  Ni65  1  0.237853  0.780248  0.352523  1
  Ni  Ni66  1  0.737853  0.780248  0.352523  1
  Ni  Ni67  1  0.395037  0.539987  0.378607  1
  Ni  Ni68  1  0.895037  0.539987  0.378607  1
  Ni  Ni69  1  0.487853  0.280248  0.352523  1
  Ni  Ni70  1  0.987853  0.280248  0.352523  1
  Ni  Ni71  1  0.145037  0.039987  0.378607  1
  Ni  Ni72  1  0.645037  0.039987  0.378607  1
  Ni  Ni73  1  0.098645  0.668203  0.390416  1
  Ni  Ni74  1  0.598645  0.668203  0.390416  1
  Ni  Ni75  1  0.255948  0.427235  0.416415  1
  Ni  Ni76  1  0.755948  0.427235  0.416415  1
  Ni  Ni77  1  0.348645  0.168203  0.390416  1
  Ni  Ni78  1  0.848645  0.168203  0.390416  1
  Ni  Ni79  1  0.005948  0.927235  0.416415  1
  Ni  Ni80  1  0.505948  0.927235  0.416415  1
  Ni  Ni81  1  0.961884  0.552490  0.429585  1
  Ni  Ni82  1  0.461884  0.552490  0.429585  1
  Ni  Ni83  1  0.118800  0.311803  0.455479  1
  Ni  Ni84  1  0.618800  0.311803  0.455479  1
  Ni  Ni85  1  0.211884  0.052490  0.429585  1
  Ni  Ni86  1  0.711884  0.052490  0.429585  1
  Ni  Ni87  1  0.868800  0.811803  0.455479  1
  Ni  Ni88  1  0.368800  0.811803  0.455479  1
  Ni  Ni89  1  0.822918  0.439280  0.467642  1
  Ni  Ni90  1  0.322918  0.439280  0.467642  1
  Ni  Ni91  1  0.980054  0.198506  0.493628  1
  Ni  Ni92  1  0.480054  0.198506  0.493628  1
  Ni  Ni93  1  0.072918  0.939280  0.467642  1
  Ni  Ni94  1  0.572918  0.939280  0.467642  1
  Ni  Ni95  1  0.730054  0.698506  0.493628  1
  Ni  Ni96  1  0.230054  0.698506  0.493628  1
  Ni  Ni97  1  0.685652  0.324029  0.506622  1
  Ni  Ni98  1  0.185652  0.324029  0.506622  1
  Ni  Ni99  1  0.842788  0.083256  0.532608  1
  Ni  Ni100  1  0.342788  0.083256  0.532608  1
  Ni  Ni101  1  0.935652  0.824029  0.506622  1
  Ni  Ni102  1  0.435652  0.824029  0.506622  1
  Ni  Ni103  1  0.592788  0.583256  0.532608  1
  Ni  Ni104  1  0.092788  0.583256  0.532608  1
  Ni  Ni105  1  0.546906  0.210733  0.544771  1
  Ni  Ni106  1  0.046906  0.210733  0.544771  1
  Ni  Ni107  1  0.703822  0.970046  0.570665  1
  Ni  Ni108  1  0.203822  0.970046  0.570665  1
  Ni  Ni109  1  0.796906  0.710733  0.544771  1
  Ni  Ni110  1  0.296906  0.710733  0.544771  1
  Ni  Ni111  1  0.453822  0.470046  0.570665  1
  Ni  Ni112  1  0.953822  0.470046  0.570665  1
  Ni  Ni113  1  0.409758  0.095301  0.583835  1
  Ni  Ni114  1  0.909758  0.095301  0.583835  1
  Ni  Ni115  1  0.567061  0.854333  0.609833  1
  Ni  Ni116  1  0.067061  0.854333  0.609833  1
  Ni  Ni117  1  0.659758  0.595301  0.583835  1
  Ni  Ni118  1  0.159758  0.595301  0.583835  1
  Ni  Ni119  1  0.317061  0.354333  0.609833  1
  Ni  Ni120  1  0.817061  0.354333  0.609833  1
  Ni  Ni121  1  0.270669  0.982549  0.621643  1
  Ni  Ni122  1  0.770669  0.982549  0.621643  1
  Ni  Ni123  1  0.427853  0.742287  0.647727  1
  Ni  Ni124  1  0.927853  0.742287  0.647727  1
  Ni  Ni125  1  0.520669  0.482549  0.621643  1
  Ni  Ni126  1  0.020669  0.482549  0.621643  1
  Ni  Ni127  1  0.177853  0.242287  0.647727  1
  Ni  Ni128  1  0.677853  0.242287  0.647727  1
  Ni  Ni129  1  0.134171  0.866197  0.661094  1
  Ni  Ni130  1  0.634171  0.866197  0.661094  1
  Ni  Ni131  1  0.293280  0.624983  0.686796  1
  Ni  Ni132  1  0.793280  0.624983  0.686796  1
  Ni  Ni133  1  0.384171  0.366197  0.661094  1
  Ni  Ni134  1  0.884171  0.366197  0.661094  1
  Ni  Ni135  1  0.043280  0.124983  0.686796  1
  Ni  Ni136  1  0.543280  0.124983  0.686796  1
  Ni  Ni137  1  0.994997  0.758124  0.698306  1
  Ni  Ni138  1  0.494997  0.758124  0.698306  1
  Ni  Ni139  1  0.151789  0.519565  0.722766  1
  Ni  Ni140  1  0.651789  0.519565  0.722766  1
  Ni  Ni141  1  0.244997  0.258124  0.698306  1
  Ni  Ni142  1  0.744997  0.258124  0.698306  1
  Ni  Ni143  1  0.901789  0.019565  0.722766  1
  Ni  Ni144  1  0.401789  0.019565  0.722766  1
