P LATTICE,NONEQUIV.ATOMS 7 11 P21/m MODE OF CALC=RELA unit=bohr 20.463844 14.673723 7.557015 90.000000 90.000000103.180000 ATOM -1: X=0.42710000 Y=0.18535000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.57290000 Y=0.81465000 Z=0.75000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.84548000 Y=0.53801000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.15452000 Y=0.46199000 Z=0.75000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.90581000 Y=0.05921000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.09419000 Y=0.94079000 Z=0.75000000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.39660000 Y=0.59583000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.60340000 Y=0.40417000 Z=0.75000000 Cl NPT= 781 R0=.000100000 RMT= 2.50000 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.16085000 Y=0.19930000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.83915000 Y=0.80070000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 2.12 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.08521000 Y=0.68270000 Z=0.25000000 MULT= 2 ISPLIT= 8 -6: X=0.91479000 Y=0.31730000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 2.12 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.64656000 Y=0.04252000 Z=0.25000000 MULT= 2 ISPLIT= 8 -7: X=0.35344000 Y=0.95748000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 2.12 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000