CYZ LATTICE,NONEQUIV.ATOMS 2 39 Abm2 MODE OF CALC=RELA unit=bohr 21.745079 10.977419 10.918271 90.000000 90.000000 90.000000 ATOM -1: X=0.32705000 Y=0.25000000 Z=0.00000000 MULT= 2 ISPLIT=15 -1: X=0.67295000 Y=0.75000000 Z=0.00000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.29978000 Y=0.25000000 Z=0.49710000 MULT= 2 ISPLIT=15 -2: X=0.70022000 Y=0.75000000 Z=0.49710000 S NPT= 781 R0=.000100000 RMT= 2.00000 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000