# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37590055
_cell_length_b   9.13466351
_cell_length_c   47.04803477
_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   'Cr20 Ni40'
_cell_volume   1450.85391611
_cell_formula_units_Z   20
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  0.508398  0.045258  0.272326  1
  Cr  Cr2  1  0.008398  0.458645  0.293596  1
  Cr  Cr3  1  0.508398  0.881007  0.316993  1
  Cr  Cr4  1  0.008398  0.302394  0.339422  1
  Cr  Cr5  1  0.508398  0.721598  0.361986  1
  Cr  Cr6  1  0.008398  0.142250  0.384937  1
  Cr  Cr7  1  0.508398  0.562423  0.407641  1
  Cr  Cr8  1  0.008398  0.982443  0.430472  1
  Cr  Cr9  1  0.508398  0.402698  0.453246  1
  Cr  Cr10  1  0.008398  0.822814  0.476035  1
  Cr  Cr11  1  0.508398  0.243021  0.498811  1
  Cr  Cr12  1  0.008398  0.663170  0.521620  1
  Cr  Cr13  1  0.508398  0.083357  0.544364  1
  Cr  Cr14  1  0.008398  0.503522  0.567177  1
  Cr  Cr15  1  0.508398  0.923609  0.589950  1
  Cr  Cr16  1  0.008398  0.343854  0.612772  1
  Cr  Cr17  1  0.508398  0.764392  0.635599  1
  Cr  Cr18  1  0.008398  0.184204  0.658039  1
  Cr  Cr19  1  0.508398  0.606548  0.680212  1
  Cr  Cr20  1  0.008398  0.026938  0.703495  1
  Ni  Ni21  1  0.008398  0.844630  0.279555  1
  Ni  Ni22  1  0.508398  0.653285  0.286934  1
  Ni  Ni23  1  0.508398  0.263539  0.302266  1
  Ni  Ni24  1  0.008398  0.072128  0.310200  1
  Ni  Ni25  1  0.008398  0.685434  0.323880  1
  Ni  Ni26  1  0.508398  0.495421  0.331682  1
  Ni  Ni27  1  0.508398  0.107382  0.347181  1
  Ni  Ni28  1  0.008398  0.915162  0.354904  1
  Ni  Ni29  1  0.008398  0.527859  0.369444  1
  Ni  Ni30  1  0.508398  0.336746  0.377481  1
  Ni  Ni31  1  0.508398  0.947483  0.392459  1
  Ni  Ni32  1  0.008398  0.756184  0.400247  1
  Ni  Ni33  1  0.008398  0.368240  0.415113  1
  Ni  Ni34  1  0.508398  0.176778  0.423026  1
  Ni  Ni35  1  0.508398  0.788103  0.437931  1
  Ni  Ni36  1  0.008398  0.596803  0.445826  1
  Ni  Ni37  1  0.008398  0.208453  0.460682  1
  Ni  Ni38  1  0.508398  0.017060  0.468589  1
  Ni  Ni39  1  0.508398  0.628580  0.483489  1
  Ni  Ni40  1  0.008398  0.437223  0.491383  1
  Ni  Ni41  1  0.008398  0.048771  0.506248  1
  Ni  Ni42  1  0.508398  0.857386  0.514166  1
  Ni  Ni43  1  0.508398  0.468995  0.529040  1
  Ni  Ni44  1  0.008398  0.277650  0.536931  1
  Ni  Ni45  1  0.008398  0.889075  0.551829  1
  Ni  Ni46  1  0.508398  0.697752  0.559761  1
  Ni  Ni47  1  0.508398  0.309417  0.574601  1
  Ni  Ni48  1  0.008398  0.118029  0.582430  1
  Ni  Ni49  1  0.008398  0.729409  0.597473  1
  Ni  Ni50  1  0.508398  0.538137  0.605267  1
  Ni  Ni51  1  0.508398  0.149806  0.620026  1
  Ni  Ni52  1  0.008398  0.958591  0.627975  1
  Ni  Ni53  1  0.008398  0.570025  0.642818  1
  Ni  Ni54  1  0.508398  0.378685  0.650798  1
  Ni  Ni55  1  0.508398  0.992306  0.665644  1
  Ni  Ni56  1  0.008398  0.801803  0.673247  1
  Ni  Ni57  1  0.008398  0.415434  0.688290  1
  Ni  Ni58  1  0.508398  0.224097  0.695424  1
  Ni  Ni59  1  0.508398  0.834613  0.710201  1
  Ni  Ni60  1  0.008398  0.646152  0.717024  1
