P LATTICE,NONEQUIV.ATOMS 2 58 Pnnm MODE OF CALC=RELA unit=bohr 6.582483 6.745944 7.835938 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.50000000 Y=0.50000000 Z=0.50000000 C NPT= 781 R0=.000100000 RMT= 1.18 Z: 6.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.26580000 Y=0.26670000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.73420000 Y=0.73330000 Z=0.00000000 -2: X=0.23420000 Y=0.76670000 Z=0.50000000 -2: X=0.76580000 Y=0.23330000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.31 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000