63 16 atom bcc supercell of fcc with full symmetry & Im(-3)m & O_h^9 & #229 & cI32 Cr 0.00000000 0.00000000 0.00000000 Fe 0.00000000 1.67200000 1.67200000 Fe 1.67200000 0.00000000 1.67200000 Fe 1.67200000 1.67200000 0.00000000 Ni 3.52000000 0.00000000 0.00000000 Ni 0.00000000 3.52000000 0.00000000 Ni 0.00000000 0.00000000 3.52000000 Ni 3.52000000 3.52000000 0.00000000 Ni 3.52000000 0.00000000 3.52000000 Cr 7.04000000 0.00000000 0.00000000 Fe 7.04000000 1.67200000 1.67200000 Fe 5.36800000 0.00000000 1.67200000 Fe 5.36800000 1.67200000 0.00000000 Ni 7.04000000 3.52000000 0.00000000 Ni 7.04000000 0.00000000 3.52000000 Ni 0.00000000 3.52000000 3.52000000 Cr 0.00000000 7.04000000 0.00000000 Fe 1.67200000 7.04000000 1.67200000 Fe 1.67200000 5.36800000 0.00000000 Fe 0.00000000 5.36800000 1.67200000 Ni 3.52000000 7.04000000 0.00000000 Ni 0.00000000 7.04000000 3.52000000 Cr 0.00000000 0.00000000 7.04000000 Fe 1.67200000 1.67200000 7.04000000 Fe 0.00000000 1.67200000 5.36800000 Fe 1.67200000 0.00000000 5.36800000 Ni 3.52000000 0.00000000 7.04000000 Ni 0.00000000 3.52000000 7.04000000 Cr 3.52000000 3.52000000 3.52000000 Fe 3.52000000 5.19200000 5.19200000 Fe 5.19200000 3.52000000 5.19200000 Fe 5.19200000 5.19200000 3.52000000 Fe 3.52000000 5.19200000 1.84800000 Fe 5.19200000 3.52000000 1.84800000 Fe 5.19200000 1.84800000 3.52000000 Fe 3.52000000 1.84800000 5.19200000 Fe 1.84800000 3.52000000 5.19200000 Fe 1.84800000 5.19200000 3.52000000 Fe 3.52000000 1.84800000 1.84800000 Fe 1.84800000 3.52000000 1.84800000 Fe 1.84800000 1.84800000 3.52000000 Ni 7.04000000 3.52000000 3.52000000 Ni 3.52000000 7.04000000 3.52000000 Ni 3.52000000 3.52000000 7.04000000 Cr 7.04000000 7.04000000 0.00000000 Fe 7.04000000 5.36800000 1.67200000 Fe 5.36800000 7.04000000 1.67200000 Fe 5.36800000 5.36800000 0.00000000 Ni 7.04000000 7.04000000 3.52000000 Cr 7.04000000 0.00000000 7.04000000 Fe 7.04000000 1.67200000 5.36800000 Fe 5.36800000 1.67200000 7.04000000 Fe 5.36800000 0.00000000 5.36800000 Ni 7.04000000 3.52000000 7.04000000 Cr 0.00000000 7.04000000 7.04000000 Fe 1.67200000 7.04000000 5.36800000 Fe 1.67200000 5.36800000 7.04000000 Fe 0.00000000 5.36800000 5.36800000 Ni 3.52000000 7.04000000 7.04000000 Cr 7.04000000 7.04000000 7.04000000 Fe 7.04000000 5.36800000 5.36800000 Fe 5.36800000 7.04000000 5.36800000 Fe 5.36800000 5.36800000 7.04000000 **************************************** Primitive vectors a(1) = -3.52000000 3.52000000 3.52000000 a(2) = 3.52000000 -3.52000000 3.52000000 a(3) = 3.52000000 3.52000000 -3.52000000 Volume = 174.45683200 Reciprocal vectors b(1) = 0.00000000 0.14204545 0.14204545 b(2) = 0.14204545 0.00000000 0.14204545 b(3) = 0.14204545 0.14204545 0.00000000 Basis Vectors: Atom Lattice Coordinates Cartesian Coordinates Cr 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 Fe 0.47500000 0.23750000 0.23750000 0.00000000 1.67200000 1.67200000 Fe 0.23750000 0.47500000 0.23750000 1.67200000 0.00000000 1.67200000 Fe 0.23750000 0.23750000 0.47500000 1.67200000 1.67200000 0.00000000 Fe 0.00000000 -0.23750000 0.23750000 0.00000000 1.67200000 -1.67200000 Fe -0.23750000 0.00000000 0.23750000 1.67200000 0.00000000 -1.67200000 Fe -0.23750000 0.23750000 0.00000000 1.67200000 -1.67200000 0.00000000 Fe 0.00000000 0.23750000 -0.23750000 0.00000000 -1.67200000 1.67200000 Fe 0.23750000 0.00000000 -0.23750000 -1.67200000 0.00000000 1.67200000 Fe 0.23750000 -0.23750000 0.00000000 -1.67200000 1.67200000 0.00000000 Fe -0.47500000 -0.23750000 -0.23750000 0.00000000 -1.67200000 -1.67200000 Fe -0.23750000 -0.47500000 -0.23750000 -1.67200000 0.00000000 -1.67200000 Fe -0.23750000 -0.23750000 -0.47500000 -1.67200000 -1.67200000 0.00000000 Ni 0.00000000 0.50000000 0.50000000 3.52000000 0.00000000 0.00000000 Ni 0.50000000 0.00000000 0.50000000 0.00000000 3.52000000 0.00000000 Ni 0.50000000 0.50000000 0.00000000 0.00000000 0.00000000 3.52000000