# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49325346
_cell_length_b   6.14378453
_cell_length_c   48.59760086
_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   'Cr32 Ni64'
_cell_volume   2237.28457858
_cell_formula_units_Z   32
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  1.002098  0.567054  0.299508  1
  Cr  Cr2  1  1.002098  0.906739  0.271296  1
  Cr  Cr3  1  0.502098  0.900340  0.315677  1
  Cr  Cr4  1  0.502098  0.237401  0.285032  1
  Cr  Cr5  1  1.002098  0.885694  0.359264  1
  Cr  Cr6  1  1.002098  0.226839  0.329648  1
  Cr  Cr7  1  0.502098  0.214390  0.373393  1
  Cr  Cr8  1  0.502098  0.556904  0.343917  1
  Cr  Cr9  1  1.002098  0.201554  0.417637  1
  Cr  Cr10  1  1.002098  0.543502  0.388011  1
  Cr  Cr11  1  0.502098  0.530622  0.432357  1
  Cr  Cr12  1  0.502098  0.872748  0.403299  1
  Cr  Cr13  1  1.002098  0.517509  0.476633  1
  Cr  Cr14  1  1.002098  0.859729  0.447430  1
  Cr  Cr15  1  0.502098  0.846604  0.491541  1
  Cr  Cr16  1  0.502098  0.188473  0.461822  1
  Cr  Cr17  1  1.002098  0.833473  0.535679  1
  Cr  Cr18  1  1.002098  0.175342  0.505961  1
  Cr  Cr19  1  0.502098  0.162217  0.550072  1
  Cr  Cr20  1  0.502098  0.504437  0.520869  1
  Cr  Cr21  1  1.002098  0.149198  0.594203  1
  Cr  Cr22  1  1.002098  0.491324  0.565145  1
  Cr  Cr23  1  0.502098  0.478444  0.609490  1
  Cr  Cr24  1  0.502098  0.820392  0.579864  1
  Cr  Cr25  1  1.002098  0.465042  0.653585  1
  Cr  Cr26  1  1.002098  0.807556  0.624109  1
  Cr  Cr27  1  0.502098  0.795107  0.667853  1
  Cr  Cr28  1  0.502098  0.136252  0.638238  1
  Cr  Cr29  1  1.002098  0.784545  0.712470  1
  Cr  Cr30  1  1.002098  0.121606  0.681825  1
  Cr  Cr31  1  0.502098  0.115207  0.726205  1
  Cr  Cr32  1  0.502098  0.454892  0.697994  1
  Ni  Ni33  1  0.169569  0.896434  0.315252  1
  Ni  Ni34  1  0.170229  0.228113  0.285820  1
  Ni  Ni35  1  0.335113  0.566179  0.299776  1
  Ni  Ni36  1  0.336837  0.895225  0.271929  1
  Ni  Ni37  1  0.669082  0.566179  0.299776  1
  Ni  Ni38  1  0.667358  0.895225  0.271929  1
  Ni  Ni39  1  0.834627  0.896434  0.315252  1
  Ni  Ni40  1  0.833967  0.228113  0.285820  1
  Ni  Ni41  1  0.170591  0.214882  0.373520  1
  Ni  Ni42  1  0.169957  0.556503  0.343682  1
  Ni  Ni43  1  0.333573  0.885143  0.359251  1
  Ni  Ni44  1  0.334092  0.227319  0.329238  1
  Ni  Ni45  1  0.670622  0.885143  0.359251  1
  Ni  Ni46  1  0.670104  0.227319  0.329238  1
  Ni  Ni47  1  0.833604  0.214882  0.373520  1
  Ni  Ni48  1  0.834239  0.556503  0.343682  1
  Ni  Ni49  1  0.169989  0.530666  0.432375  1
  Ni  Ni50  1  0.170040  0.872337  0.403287  1
  Ni  Ni51  1  0.334081  0.201746  0.417671  1
  Ni  Ni52  1  0.333990  0.543738  0.388114  1
  Ni  Ni53  1  0.670114  0.201746  0.417671  1
  Ni  Ni54  1  0.670206  0.543738  0.388114  1
  Ni  Ni55  1  0.834207  0.530666  0.432375  1
  Ni  Ni56  1  0.834155  0.872337  0.403287  1
  Ni  Ni57  1  0.170217  0.846314  0.491515  1
  Ni  Ni58  1  0.170218  0.188711  0.461831  1
  Ni  Ni59  1  0.334105  0.517556  0.476624  1
  Ni  Ni60  1  0.334029  0.859353  0.447377  1
  Ni  Ni61  1  0.670091  0.517556  0.476624  1
  Ni  Ni62  1  0.670166  0.859353  0.447377  1
  Ni  Ni63  1  0.833978  0.846314  0.491515  1
  Ni  Ni64  1  0.833977  0.188711  0.461831  1
  Ni  Ni65  1  0.170166  0.162593  0.550125  1
  Ni  Ni66  1  0.170091  0.504390  0.520878  1
  Ni  Ni67  1  0.333977  0.833235  0.535671  1
  Ni  Ni68  1  0.333978  0.175632  0.505987  1
  Ni  Ni69  1  0.670218  0.833235  0.535671  1
  Ni  Ni70  1  0.670217  0.175632  0.505987  1
  Ni  Ni71  1  0.834029  0.162593  0.550125  1
  Ni  Ni72  1  0.834105  0.504390  0.520878  1
  Ni  Ni73  1  0.170206  0.478208  0.609387  1
  Ni  Ni74  1  0.170114  0.820200  0.579830  1
  Ni  Ni75  1  0.334155  0.149608  0.594215  1
  Ni  Ni76  1  0.334207  0.491280  0.565127  1
  Ni  Ni77  1  0.670040  0.149608  0.594215  1
  Ni  Ni78  1  0.669989  0.491280  0.565127  1
  Ni  Ni79  1  0.833990  0.478208  0.609387  1
  Ni  Ni80  1  0.834081  0.820200  0.579830  1
  Ni  Ni81  1  0.170104  0.794627  0.668263  1
  Ni  Ni82  1  0.170622  0.136803  0.638250  1
  Ni  Ni83  1  0.334239  0.465443  0.653819  1
  Ni  Ni84  1  0.333604  0.807063  0.623982  1
  Ni  Ni85  1  0.669957  0.465443  0.653819  1
  Ni  Ni86  1  0.670591  0.807063  0.623982  1
  Ni  Ni87  1  0.834092  0.794627  0.668263  1
  Ni  Ni88  1  0.833573  0.136803  0.638250  1
  Ni  Ni89  1  0.167358  0.126721  0.725573  1
  Ni  Ni90  1  0.169082  0.455767  0.697725  1
  Ni  Ni91  1  0.333967  0.793833  0.711682  1
  Ni  Ni92  1  0.334627  0.125512  0.682250  1
  Ni  Ni93  1  0.670229  0.793833  0.711682  1
  Ni  Ni94  1  0.669569  0.125512  0.682250  1
  Ni  Ni95  1  0.836837  0.126721  0.725573  1
  Ni  Ni96  1  0.835113  0.455767  0.697725  1
