P LATTICE,NONEQUIV.ATOMS 5 62 Pnma MODE OF CALC=RELA unit=bohr 19.557721 9.001144 33.417917 90.000000 90.000000 90.000000 ATOM -1: X=0.41383000 Y=0.25000000 Z=0.33043000 MULT= 4 ISPLIT= 8 -1: X=0.58617000 Y=0.75000000 Z=0.66957000 -1: X=0.91383000 Y=0.25000000 Z=0.16957000 -1: X=0.08617000 Y=0.75000000 Z=0.83043000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.03063000 Y=0.25000000 Z=0.38180000 MULT= 4 ISPLIT= 8 -2: X=0.96937000 Y=0.75000000 Z=0.61820000 -2: X=0.53063000 Y=0.25000000 Z=0.11820000 -2: X=0.46937000 Y=0.75000000 Z=0.88180000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.16658000 Y=0.25000000 Z=0.00068000 MULT= 4 ISPLIT= 8 -3: X=0.83342000 Y=0.75000000 Z=0.99932000 -3: X=0.66658000 Y=0.25000000 Z=0.49932000 -3: X=0.33342000 Y=0.75000000 Z=0.50068000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.29605000 Y=0.25000000 Z=0.70871000 MULT= 4 ISPLIT= 8 -4: X=0.70395000 Y=0.75000000 Z=0.29129000 -4: X=0.79605000 Y=0.25000000 Z=0.79129000 -4: X=0.20395000 Y=0.75000000 Z=0.20871000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.15699000 Y=0.25000000 Z=0.56297000 MULT= 4 ISPLIT= 8 -5: X=0.84301000 Y=0.75000000 Z=0.43703000 -5: X=0.65699000 Y=0.25000000 Z=0.93703000 -5: X=0.34301000 Y=0.75000000 Z=0.06297000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000