# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54168177
_cell_length_b   7.23256170
_cell_length_c   48.34445438
_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   2636.98107602
_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  0.998874  0.563301  0.289493  1
  Cr  Cr2  1  0.998874  1.002222  0.316740  1
  Cr  Cr3  1  0.498874  0.866580  0.279266  1
  Cr  Cr4  1  0.498874  0.265409  0.299967  1
  Cr  Cr5  1  0.998874  0.428556  0.338499  1
  Cr  Cr6  1  0.998874  0.870356  0.364795  1
  Cr  Cr7  1  0.498874  0.716341  0.327477  1
  Cr  Cr8  1  0.498874  0.158540  0.353011  1
  Cr  Cr9  1  0.998874  0.311022  0.390550  1
  Cr  Cr10  1  0.998874  0.738155  0.414125  1
  Cr  Cr11  1  0.498874  0.583139  0.376231  1
  Cr  Cr12  1  0.498874  0.025085  0.402328  1
  Cr  Cr13  1  0.998874  0.178860  0.440030  1
  Cr  Cr14  1  0.998874  0.617380  0.465529  1
  Cr  Cr15  1  0.498874  0.463592  0.427973  1
  Cr  Cr16  1  0.498874  0.893632  0.451880  1
  Cr  Cr17  1  0.998874  0.047952  0.489603  1
  Cr  Cr18  1  0.998874  0.486877  0.515162  1
  Cr  Cr19  1  0.498874  0.332760  0.477556  1
  Cr  Cr20  1  0.498874  0.771684  0.503115  1
  Cr  Cr21  1  0.998874  0.926005  0.540838  1
  Cr  Cr22  1  0.998874  0.356044  0.564745  1
  Cr  Cr23  1  0.498874  0.202256  0.527189  1
  Cr  Cr24  1  0.498874  0.640776  0.552688  1
  Cr  Cr25  1  0.998874  0.794552  0.590390  1
  Cr  Cr26  1  0.998874  0.236497  0.616487  1
  Cr  Cr27  1  0.498874  0.081482  0.578593  1
  Cr  Cr28  1  0.498874  0.508614  0.602168  1
  Cr  Cr29  1  0.998874  0.661097  0.639707  1
  Cr  Cr30  1  0.998874  0.103296  0.665242  1
  Cr  Cr31  1  0.498874  0.949280  0.627923  1
  Cr  Cr32  1  0.498874  0.391080  0.654219  1
  Cr  Cr33  1  0.998874  0.554227  0.692751  1
  Cr  Cr34  1  0.998874  0.953056  0.713452  1
  Cr  Cr35  1  0.498874  0.817414  0.675978  1
  Cr  Cr36  1  0.498874  0.256336  0.703225  1
  Ni  Ni37  1  0.165396  0.852891  0.279917  1
  Ni  Ni38  1  0.167626  0.271809  0.301347  1
  Ni  Ni39  1  0.333486  0.565089  0.290086  1
  Ni  Ni40  1  0.329636  0.996668  0.317479  1
  Ni  Ni41  1  0.664261  0.565089  0.290086  1
  Ni  Ni42  1  0.668111  0.996668  0.317479  1
  Ni  Ni43  1  0.832351  0.852891  0.279917  1
  Ni  Ni44  1  0.830121  0.271809  0.301347  1
  Ni  Ni45  1  0.165847  0.713630  0.327297  1
  Ni  Ni46  1  0.167105  0.155851  0.353328  1
  Ni  Ni47  1  0.331379  0.429683  0.338076  1
  Ni  Ni48  1  0.331014  0.869678  0.365225  1
  Ni  Ni49  1  0.666368  0.429683  0.338076  1
  Ni  Ni50  1  0.666733  0.869678  0.365225  1
  Ni  Ni51  1  0.831900  0.713630  0.327297  1
  Ni  Ni52  1  0.830642  0.155851  0.353328  1
  Ni  Ni53  1  0.167648  0.585346  0.376263  1
  Ni  Ni54  1  0.166239  0.024589  0.402465  1
  Ni  Ni55  1  0.330449  0.308530  0.390552  1
  Ni  Ni56  1  0.330642  0.740092  0.414254  1
  Ni  Ni57  1  0.667298  0.308530  0.390552  1
  Ni  Ni58  1  0.667105  0.740092  0.414254  1
  Ni  Ni59  1  0.830099  0.585346  0.376263  1
  Ni  Ni60  1  0.831508  0.024589  0.402465  1
  Ni  Ni61  1  0.167380  0.462060  0.428043  1
  Ni  Ni62  1  0.167083  0.894840  0.451907  1
  Ni  Ni63  1  0.331071  0.178520  0.439987  1
  Ni  Ni64  1  0.330561  0.616107  0.465583  1
  Ni  Ni65  1  0.666676  0.178520  0.439987  1
  Ni  Ni66  1  0.667186  0.616107  0.465583  1
  Ni  Ni67  1  0.830367  0.462060  0.428043  1
  Ni  Ni68  1  0.830664  0.894840  0.451907  1
  Ni  Ni69  1  0.166732  0.332741  0.477574  1
  Ni  Ni70  1  0.167189  0.770345  0.503162  1
  Ni  Ni71  1  0.330558  0.049292  0.489556  1
  Ni  Ni72  1  0.331015  0.486896  0.515144  1
  Ni  Ni73  1  0.667189  0.049292  0.489556  1
  Ni  Ni74  1  0.666732  0.486896  0.515144  1
  Ni  Ni75  1  0.831015  0.332741  0.477574  1
  Ni  Ni76  1  0.830558  0.770345  0.503162  1
  Ni  Ni77  1  0.167186  0.203530  0.527135  1
  Ni  Ni78  1  0.166676  0.641116  0.552732  1
  Ni  Ni79  1  0.330664  0.924796  0.540811  1
  Ni  Ni80  1  0.330367  0.357576  0.564675  1
  Ni  Ni81  1  0.667083  0.924796  0.540811  1
  Ni  Ni82  1  0.667380  0.357576  0.564675  1
  Ni  Ni83  1  0.830561  0.203530  0.527135  1
  Ni  Ni84  1  0.831071  0.641116  0.552732  1
  Ni  Ni85  1  0.167105  0.079544  0.578464  1
  Ni  Ni86  1  0.167298  0.511106  0.602167  1
  Ni  Ni87  1  0.331508  0.795047  0.590253  1
  Ni  Ni88  1  0.330099  0.234290  0.616455  1
  Ni  Ni89  1  0.666239  0.795047  0.590253  1
  Ni  Ni90  1  0.667648  0.234290  0.616455  1
  Ni  Ni91  1  0.830642  0.079544  0.578464  1
  Ni  Ni92  1  0.830449  0.511106  0.602167  1
  Ni  Ni93  1  0.166733  0.949958  0.627494  1
  Ni  Ni94  1  0.166368  0.389954  0.654642  1
  Ni  Ni95  1  0.330642  0.663785  0.639390  1
  Ni  Ni96  1  0.331900  0.106006  0.665421  1
  Ni  Ni97  1  0.667105  0.663785  0.639390  1
  Ni  Ni98  1  0.665847  0.106006  0.665421  1
  Ni  Ni99  1  0.831014  0.949958  0.627494  1
  Ni  Ni100  1  0.831379  0.389954  0.654642  1
  Ni  Ni101  1  0.168111  0.822968  0.675239  1
  Ni  Ni102  1  0.164261  0.254548  0.702632  1
  Ni  Ni103  1  0.330121  0.547827  0.691371  1
  Ni  Ni104  1  0.332351  0.966745  0.712801  1
  Ni  Ni105  1  0.667626  0.547827  0.691371  1
  Ni  Ni106  1  0.665396  0.966745  0.712801  1
  Ni  Ni107  1  0.829636  0.822968  0.675239  1
  Ni  Ni108  1  0.833486  0.254548  0.702632  1
