CXY LATTICE,NONEQUIV.ATOMS 5 63 Cmcm MODE OF CALC=RELA unit=bohr 14.675613 13.902715 11.430953 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.16100000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.83900000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 1.73 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.33860000 Y=0.00000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.66140000 Y=0.00000000 Z=0.00000000 -2: X=0.33860000 Y=0.00000000 Z=0.50000000 -2: X=0.66140000 Y=0.00000000 Z=0.50000000 Li NPT= 781 R0=.000100000 RMT= 1.61 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -3: X=0.35200000 Y=0.27280000 Z=0.25000000 MULT= 4 ISPLIT= 8 -3: X=0.64800000 Y=0.72720000 Z=0.75000000 -3: X=0.64800000 Y=0.27280000 Z=0.25000000 -3: X=0.35200000 Y=0.72720000 Z=0.75000000 Li NPT= 781 R0=.000100000 RMT= 1.61 Z: 3.00000 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=0.29650000 Z=0.00860000 MULT= 4 ISPLIT= 8 -4: X=0.00000000 Y=0.70350000 Z=0.99140000 -4: X=0.00000000 Y=0.29650000 Z=0.49140000 -4: X=0.00000000 Y=0.70350000 Z=0.50860000 O NPT= 781 R0=.000100000 RMT= 1.56 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -5: X=0.19330000 Y=0.03810000 Z=0.25000000 MULT= 4 ISPLIT= 8 -5: X=0.80670000 Y=0.96190000 Z=0.75000000 -5: X=0.80670000 Y=0.03810000 Z=0.25000000 -5: X=0.19330000 Y=0.96190000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.56 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000