P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 14.314298 8.461060 16.324021 90.000000 90.000000 90.000000 ATOM -1: X=0.27016000 Y=0.25000000 Z=0.37717000 MULT= 4 ISPLIT= 8 -1: X=0.72984000 Y=0.75000000 Z=0.62283000 -1: X=0.77016000 Y=0.25000000 Z=0.12283000 -1: X=0.22984000 Y=0.75000000 Z=0.87717000 Pt NPT= 781 R0=.000005000 RMT= 2.50000 Z: 78.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.14353000 Y=0.25000000 Z=0.06550000 MULT= 4 ISPLIT= 8 -2: X=0.85647000 Y=0.75000000 Z=0.93450000 -2: X=0.64353000 Y=0.25000000 Z=0.43450000 -2: X=0.35647000 Y=0.75000000 Z=0.56550000 Cd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 48.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.02883000 Y=0.25000000 Z=0.68094000 MULT= 4 ISPLIT= 8 -3: X=0.97117000 Y=0.75000000 Z=0.31906000 -3: X=0.52883000 Y=0.25000000 Z=0.81906000 -3: X=0.47117000 Y=0.75000000 Z=0.18094000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000