blebleble CXZ LATTICE,NONEQUIV.ATOMS 5 15 C2/c MODE OF CALC=RELA unit=bohr 16.463294 13.887597 11.937400 90.000000 90.000000115.040000 ATOM -1: X=0.22110000 Y=0.61300000 Z=0.01780000 MULT= 4 ISPLIT=15 -1: X=0.77890000 Y=0.38700000 Z=0.98220000 -1: X=0.77890000 Y=0.88700000 Z=0.01780000 -1: X=0.22110000 Y=0.11300000 Z=0.98220000 F NPT= 781 R0=.000100000 RMT= 1.6800 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.48860000 Y=0.02630000 Z=0.21690000 MULT= 4 ISPLIT=15 -2: X=0.51140000 Y=0.97370000 Z=0.78310000 -2: X=0.51140000 Y=0.47370000 Z=0.21690000 -2: X=0.48860000 Y=0.52630000 Z=0.78310000 F NPT= 781 R0=.000100000 RMT= 1.6800 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.25000000 Z=0.05780000 MULT= 2 ISPLIT=15 -3: X=0.00000000 Y=0.75000000 Z=0.94220000 F NPT= 781 R0=.000100000 RMT= 1.6800 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.00000000 Y=0.25000000 Z=0.45760000 MULT= 2 ISPLIT=15 -4: X=0.00000000 Y=0.75000000 Z=0.54240000 Ca NPT= 781 R0=.000050000 RMT= 2.0200 Z: 20.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT=15 -5: X=0.00000000 Y=0.50000000 Z=0.00000000 Al NPT= 781 R0=.000100000 RMT= 1.6000 Z: 13.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0 NUMBER OF SYMMETRY OPERATIONS