# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53126800
_cell_length_b   11.42580356
_cell_length_c   45.92067796
_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   'Cr54 Ni108'
_cell_volume   3951.51055403
_cell_formula_units_Z   54
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  0.999563  0.612916  0.286786  1
  Cr  Cr2  1  0.999563  0.239746  0.302383  1
  Cr  Cr3  1  0.999563  0.874259  0.322455  1
  Cr  Cr4  1  0.499563  0.808217  0.280904  1
  Cr  Cr5  1  0.499563  0.427245  0.294430  1
  Cr  Cr6  1  0.499563  0.046877  0.309056  1
  Cr  Cr7  1  0.999563  0.506732  0.336257  1
  Cr  Cr8  1  -0.000437  0.138654  0.351999  1
  Cr  Cr9  1  0.999563  0.773519  0.370457  1
  Cr  Cr10  1  0.499563  0.689807  0.328914  1
  Cr  Cr11  1  0.499563  0.324707  0.344174  1
  Cr  Cr12  1  0.499563  0.960736  0.362631  1
  Cr  Cr13  1  0.999563  0.405319  0.385778  1
  Cr  Cr14  1  0.999563  0.041930  0.404235  1
  Cr  Cr15  1  -0.000437  0.671480  0.419879  1
  Cr  Cr16  1  0.499563  0.589029  0.377968  1
  Cr  Cr17  1  0.499563  0.220756  0.393811  1
  Cr  Cr18  1  0.499563  0.856257  0.411982  1
  Cr  Cr19  1  0.999563  0.303397  0.436057  1
  Cr  Cr20  1  0.999563  0.938315  0.453764  1
  Cr  Cr21  1  0.999563  0.569736  0.469639  1
  Cr  Cr22  1  0.499563  0.487650  0.427787  1
  Cr  Cr23  1  0.499563  0.123012  0.445696  1
  Cr  Cr24  1  0.499563  0.753938  0.461582  1
  Cr  Cr25  1  0.999563  0.204672  0.487380  1
  Cr  Cr26  1  0.999563  0.836076  0.503356  1
  Cr  Cr27  1  0.999563  0.469730  0.520445  1
  Cr  Cr28  1  0.499563  0.386726  0.478295  1
  Cr  Cr29  1  0.499563  0.020379  0.495384  1
  Cr  Cr30  1  0.499563  0.651784  0.511360  1
  Cr  Cr31  1  0.999563  0.102518  0.537158  1
  Cr  Cr32  1  0.999563  0.733443  0.553044  1
  Cr  Cr33  1  0.999563  0.368806  0.570953  1
  Cr  Cr34  1  0.499563  0.286719  0.529101  1
  Cr  Cr35  1  0.499563  0.918141  0.544976  1
  Cr  Cr36  1  0.499563  0.553059  0.562683  1
  Cr  Cr37  1  0.999563  1.000199  0.586758  1
  Cr  Cr38  1  0.999563  0.635700  0.604929  1
  Cr  Cr39  1  0.999563  0.267427  0.620772  1
  Cr  Cr40  1  0.499563  0.184976  0.578861  1
  Cr  Cr41  1  0.499563  0.814526  0.594505  1
  Cr  Cr42  1  0.499563  0.451136  0.612962  1
  Cr  Cr43  1  0.999563  0.895719  0.636109  1
  Cr  Cr44  1  0.999563  0.531749  0.654566  1
  Cr  Cr45  1  0.999563  0.166649  0.669826  1
  Cr  Cr46  1  0.499563  0.082937  0.628283  1
  Cr  Cr47  1  0.499563  0.717802  0.646741  1
  Cr  Cr48  1  0.499563  0.349723  0.662483  1
  Cr  Cr49  1  0.999563  0.809578  0.689684  1
  Cr  Cr50  1  0.999563  0.429211  0.704310  1
  Cr  Cr51  1  0.999563  0.048239  0.717836  1
  Cr  Cr52  1  0.499563  0.982196  0.676285  1
  Cr  Cr53  1  0.499563  0.616710  0.696357  1
  Cr  Cr54  1  0.499563  0.243540  0.711954  1
  Ni  Ni55  1  0.165872  0.799598  0.281280  1
  Ni  Ni56  1  0.167717  0.425098  0.295136  1
  Ni  Ni57  1  0.167493  0.050715  0.310935  1
  Ni  Ni58  1  0.333060  0.614371  0.287356  1
  Ni  Ni59  1  0.333496  0.237677  0.303216  1
  Ni  Ni60  1  0.330401  0.871081  0.323161  1
  Ni  Ni61  1  0.666066  0.614371  0.287356  1
  Ni  Ni62  1  0.665631  0.237677  0.303216  1
  Ni  Ni63  1  0.668726  0.871081  0.323161  1
  Ni  Ni64  1  0.833255  0.799598  0.281280  1
  Ni  Ni65  1  0.831410  0.425098  0.295136  1
  Ni  Ni66  1  0.831634  0.050715  0.310935  1
  Ni  Ni67  1  0.166768  0.689342  0.328803  1
  Ni  Ni68  1  0.167442  0.322451  0.343905  1
  Ni  Ni69  1  0.167487  0.958988  0.362959  1
  Ni  Ni70  1  0.331206  0.506545  0.336058  1
  Ni  Ni71  1  0.332415  0.138412  0.351587  1
  Ni  Ni72  1  0.331563  0.773037  0.370856  1
  Ni  Ni73  1  0.667920  0.506545  0.336058  1
  Ni  Ni74  1  0.666712  0.138412  0.351587  1
  Ni  Ni75  1  0.667563  0.773037  0.370856  1
  Ni  Ni76  1  0.832359  0.689342  0.328803  1
  Ni  Ni77  1  0.831685  0.322451  0.343905  1
  Ni  Ni78  1  0.831639  0.958988  0.362959  1
  Ni  Ni79  1  0.167746  0.589143  0.378089  1
  Ni  Ni80  1  0.168458  0.221738  0.393888  1
  Ni  Ni81  1  0.167194  0.856161  0.412145  1
  Ni  Ni82  1  0.331300  0.405447  0.385893  1
  Ni  Ni83  1  0.331290  0.040515  0.404193  1
  Ni  Ni84  1  0.331434  0.671317  0.419999  1
  Ni  Ni85  1  0.667827  0.405447  0.385893  1
  Ni  Ni86  1  0.667837  0.040515  0.404193  1
  Ni  Ni87  1  0.667693  0.671317  0.419999  1
  Ni  Ni88  1  0.831380  0.589143  0.378089  1
  Ni  Ni89  1  0.830668  0.221738  0.393888  1
  Ni  Ni90  1  0.831933  0.856161  0.412145  1
  Ni  Ni91  1  0.167425  0.487357  0.427815  1
  Ni  Ni92  1  0.167992  0.122422  0.445728  1
  Ni  Ni93  1  0.167607  0.753858  0.461649  1
  Ni  Ni94  1  0.331474  0.304300  0.436113  1
  Ni  Ni95  1  0.331605  0.938213  0.453731  1
  Ni  Ni96  1  0.331403  0.569689  0.469672  1
  Ni  Ni97  1  0.667652  0.304300  0.436113  1
  Ni  Ni98  1  0.667521  0.938213  0.453731  1
  Ni  Ni99  1  0.667724  0.569689  0.469672  1
  Ni  Ni100  1  0.831701  0.487357  0.427815  1
  Ni  Ni101  1  0.831135  0.122422  0.445728  1
  Ni  Ni102  1  0.831520  0.753858  0.461649  1
  Ni  Ni103  1  0.167734  0.386845  0.478275  1
  Ni  Ni104  1  0.167641  0.020398  0.495414  1
  Ni  Ni105  1  0.167732  0.651974  0.511383  1
  Ni  Ni106  1  0.331395  0.204482  0.487357  1
  Ni  Ni107  1  0.331485  0.836057  0.503326  1
  Ni  Ni108  1  0.331392  0.469611  0.520465  1
  Ni  Ni109  1  0.667732  0.204482  0.487357  1
  Ni  Ni110  1  0.667641  0.836057  0.503326  1
  Ni  Ni111  1  0.667734  0.469611  0.520465  1
  Ni  Ni112  1  0.831392  0.386845  0.478275  1
  Ni  Ni113  1  0.831485  0.020398  0.495414  1
  Ni  Ni114  1  0.831395  0.651974  0.511383  1
  Ni  Ni115  1  0.167724  0.286767  0.529068  1
  Ni  Ni116  1  0.167521  0.918243  0.545009  1
  Ni  Ni117  1  0.167652  0.552156  0.562627  1
  Ni  Ni118  1  0.331520  0.102598  0.537091  1
  Ni  Ni119  1  0.331135  0.734034  0.553012  1
  Ni  Ni120  1  0.331701  0.369099  0.570925  1
  Ni  Ni121  1  0.667607  0.102598  0.537091  1
  Ni  Ni122  1  0.667992  0.734034  0.553012  1
  Ni  Ni123  1  0.667425  0.369099  0.570925  1
  Ni  Ni124  1  0.831403  0.286767  0.529068  1
  Ni  Ni125  1  0.831605  0.918243  0.545009  1
  Ni  Ni126  1  0.831474  0.552156  0.562627  1
  Ni  Ni127  1  0.167693  0.185139  0.578741  1
  Ni  Ni128  1  0.167837  0.815941  0.594547  1
  Ni  Ni129  1  0.167827  0.451009  0.612847  1
  Ni  Ni130  1  0.331933  1.000295  0.586595  1
  Ni  Ni131  1  0.330668  0.634718  0.604852  1
  Ni  Ni132  1  0.331380  0.267313  0.620652  1
  Ni  Ni133  1  0.667194  1.000295  0.586595  1
  Ni  Ni134  1  0.668458  0.634718  0.604852  1
  Ni  Ni135  1  0.667746  0.267313  0.620652  1
  Ni  Ni136  1  0.831434  0.185139  0.578741  1
  Ni  Ni137  1  0.831290  0.815941  0.594547  1
  Ni  Ni138  1  0.831300  0.451009  0.612847  1
  Ni  Ni139  1  0.167563  0.083418  0.627884  1
  Ni  Ni140  1  0.166712  0.718044  0.647154  1
  Ni  Ni141  1  0.167920  0.349911  0.662682  1
  Ni  Ni142  1  0.331639  0.897468  0.635781  1
  Ni  Ni143  1  0.331685  0.534005  0.654835  1
  Ni  Ni144  1  0.332359  0.167114  0.669937  1
  Ni  Ni145  1  0.667487  0.897468  0.635781  1
  Ni  Ni146  1  0.667442  0.534005  0.654835  1
  Ni  Ni147  1  0.666768  0.167114  0.669937  1
  Ni  Ni148  1  0.831563  0.083418  0.627884  1
  Ni  Ni149  1  0.832415  0.718044  0.647154  1
  Ni  Ni150  1  0.831206  0.349911  0.662682  1
  Ni  Ni151  1  0.168726  0.985375  0.675579  1
  Ni  Ni152  1  0.165631  0.618779  0.695525  1
  Ni  Ni153  1  0.166066  0.242085  0.711384  1
  Ni  Ni154  1  0.331634  0.805741  0.687806  1
  Ni  Ni155  1  0.331410  0.431358  0.703604  1
  Ni  Ni156  1  0.333255  0.056858  0.717460  1
  Ni  Ni157  1  0.667493  0.805741  0.687806  1
  Ni  Ni158  1  0.667717  0.431358  0.703604  1
  Ni  Ni159  1  0.665872  0.056858  0.717460  1
  Ni  Ni160  1  0.830401  0.985375  0.675579  1
  Ni  Ni161  1  0.833496  0.618779  0.695525  1
  Ni  Ni162  1  0.833060  0.242085  0.711384  1
