CXY LATTICE,NONEQUIV.ATOMS 12 63 Cmcm MODE OF CALC=RELA unit=bohr 7.893386 59.293937 16.215740 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.42050000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.00000000 Y=0.57950000 Z=0.00000000 -1: X=0.00000000 Y=0.42050000 Z=0.50000000 -1: X=0.00000000 Y=0.57950000 Z=0.50000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.19370000 Z=0.00360000 MULT= 4 ISPLIT= 8 -2: X=0.00000000 Y=0.80630000 Z=0.99640000 -2: X=0.00000000 Y=0.19370000 Z=0.49640000 -2: X=0.00000000 Y=0.80630000 Z=0.50360000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -3: X=0.00000000 Y=0.50020000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.49980000 Z=0.75000000 Pd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 46.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.11820000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.00000000 Y=0.88180000 Z=0.75000000 Pd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 46.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.00000000 Y=0.88030000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.00000000 Y=0.11970000 Z=0.75000000 Pd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 46.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -6: X=0.00000000 Y=0.00000000 Z=0.50000000 Pd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 46.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -7: X=0.00000000 Y=0.73320000 Z=0.25000000 MULT= 2 ISPLIT= 8 -7: X=0.00000000 Y=0.26680000 Z=0.75000000 Pd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 46.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -8: X=0.00000000 Y=0.04220000 Z=0.25000000 MULT= 2 ISPLIT= 8 -8: X=0.00000000 Y=0.95780000 Z=0.75000000 P NPT= 781 R0=.000100000 RMT= 1.96 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -9: X=0.00000000 Y=0.95680000 Z=0.25000000 MULT= 2 ISPLIT= 8 -9: X=0.00000000 Y=0.04320000 Z=0.75000000 P NPT= 781 R0=.000100000 RMT= 1.96 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -10: X=0.00000000 Y=0.34310000 Z=0.25000000 MULT= 2 ISPLIT= 8 -10: X=0.00000000 Y=0.65690000 Z=0.75000000 P NPT= 781 R0=.000100000 RMT= 1.96 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -11: X=0.00000000 Y=0.65560000 Z=0.25000000 MULT= 2 ISPLIT= 8 -11: X=0.00000000 Y=0.34440000 Z=0.75000000 P NPT= 781 R0=.000100000 RMT= 1.96 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -12: X=0.00000000 Y=0.27120000 Z=0.25000000 MULT= 2 ISPLIT= 8 -12: X=0.00000000 Y=0.72880000 Z=0.75000000 P NPT= 781 R0=.000100000 RMT= 1.96 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000