# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.53082244
_cell_length_b   10.20770845
_cell_length_c   45.81106110
_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   'Cr16 Ni32'
_cell_volume   1183.47826395
_cell_formula_units_Z   16
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  1.005996  0.740232  0.308376  1
  Cr  Cr2  1  0.505996  0.361681  0.281665  1
  Cr  Cr3  1  1.005996  0.510739  0.363982  1
  Cr  Cr4  1  0.505996  0.125610  0.336269  1
  Cr  Cr5  1  1.005996  0.280493  0.419537  1
  Cr  Cr6  1  0.505996  0.895942  0.391207  1
  Cr  Cr7  1  1.005996  0.050403  0.475006  1
  Cr  Cr8  1  0.505996  0.665655  0.447149  1
  Cr  Cr9  1  1.005996  0.820556  0.530429  1
  Cr  Cr10  1  0.505996  0.435396  0.502858  1
  Cr  Cr11  1  1.005996  0.589806  0.586381  1
  Cr  Cr12  1  0.505996  0.205137  0.558509  1
  Cr  Cr13  1  1.005996  0.360310  0.641680  1
  Cr  Cr14  1  0.505996  0.975108  0.614249  1
  Cr  Cr15  1  1.005996  0.128463  0.696955  1
  Cr  Cr16  1  0.505996  0.747220  0.668502  1
  Ni  Ni17  1  0.505996  0.949502  0.298696  1
  Ni  Ni18  1  1.005996  0.153687  0.289713  1
  Ni  Ni19  1  1.005996  0.330187  0.327291  1
  Ni  Ni20  1  0.505996  0.534235  0.317864  1
  Ni  Ni21  1  0.505996  0.716673  0.354414  1
  Ni  Ni22  1  1.005996  0.919713  0.344502  1
  Ni  Ni23  1  1.005996  0.101203  0.382511  1
  Ni  Ni24  1  0.505996  0.304997  0.373177  1
  Ni  Ni25  1  0.505996  0.486515  0.410411  1
  Ni  Ni26  1  1.005996  0.690213  0.400559  1
  Ni  Ni27  1  1.005996  0.871392  0.437848  1
  Ni  Ni28  1  0.505996  0.074743  0.428513  1
  Ni  Ni29  1  0.505996  0.256127  0.465976  1
  Ni  Ni30  1  1.005996  0.459791  0.456400  1
  Ni  Ni31  1  1.005996  0.641198  0.493689  1
  Ni  Ni32  1  0.505996  0.844827  0.483950  1
  Ni  Ni33  1  0.505996  0.026112  0.521530  1
  Ni  Ni34  1  1.005996  0.229604  0.511999  1
  Ni  Ni35  1  1.005996  0.410970  0.549319  1
  Ni  Ni36  1  0.505996  0.614577  0.539780  1
  Ni  Ni37  1  0.505996  0.796021  0.576835  1
  Ni  Ni38  1  1.005996  -0.000576  0.567635  1
  Ni  Ni39  1  1.005996  0.180634  0.605060  1
  Ni  Ni40  1  0.505996  0.384272  0.595325  1
  Ni  Ni41  1  0.505996  0.565537  0.633108  1
  Ni  Ni42  1  1.005996  0.769625  0.622620  1
  Ni  Ni43  1  1.005996  0.951981  0.660724  1
  Ni  Ni44  1  0.505996  0.155526  0.651221  1
  Ni  Ni45  1  0.505996  0.337180  0.688156  1
  Ni  Ni46  1  1.005996  0.540684  0.679481  1
  Ni  Ni47  1  1.005996  0.717346  0.714998  1
  Ni  Ni48  1  0.505996  0.919872  0.706577  1
