23 NbP & I4_1/amd (#141) & tI8 & "40" Nb .00000000 2.49375000 12.80250000 Nb .00000000 5.81875000 12.80250000 Nb 3.32500000 2.49375000 12.80250000 Nb .00000000 2.49375000 1.42250000 P .00000000 2.49375000 7.11250000 Nb 1.66250000 4.15625000 7.11250000 P 1.66250000 2.49375000 9.95750000 P 1.66250000 4.15625000 12.80250000 Nb 3.32500000 5.81875000 12.80250000 Nb .00000000 5.81875000 1.42250000 Nb .00000000 4.15625000 9.95750000 P .00000000 4.15625000 4.26750000 P .00000000 5.81875000 7.11250000 P 1.66250000 5.81875000 9.95750000 Nb 3.32500000 2.49375000 1.42250000 P 3.32500000 2.49375000 7.11250000 Nb 1.66250000 2.49375000 4.26750000 P 1.66250000 4.15625000 1.42250000 Nb 3.32500000 5.81875000 1.42250000 Nb 3.32500000 4.15625000 9.95750000 P 3.32500000 4.15625000 4.26750000 P 3.32500000 5.81875000 7.11250000 Nb 1.66250000 5.81875000 4.26750000 **************************************** Primitive vectors a(1) = 3.32500000 .00000000 .00000000 a(2) = .00000000 3.32500000 .00000000 a(3) = 1.66250000 1.66250000 5.69000000 Volume = 62.90650625 Reciprocal vectors b(1) = .30075188 .00000000 -.08787346 b(2) = .00000000 .30075188 -.08787346 b(3) = .00000000 .00000000 .17574692 Basis Vectors: Atom Lattice Coordinates Cartesian Coordinates Nb -.12500000 .62500000 .25000000 .00000000 2.49375000 1.42250000 Nb -.87500000 -.62500000 1.75000000 .00000000 .83125000 9.95750000 P -.37500000 -.12500000 .75000000 .00000000 .83125000 4.26750000 P -.62500000 .12500000 1.25000000 .00000000 2.49375000 7.11250000