P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 15.913384 9.766105 18.301998 90.000000 90.000000 90.000000 ATOM -1: X=0.15070000 Y=0.25000000 Z=0.07080000 MULT= 4 ISPLIT= 8 -1: X=0.84930000 Y=0.75000000 Z=0.92920000 -1: X=0.65070000 Y=0.25000000 Z=0.42920000 -1: X=0.34930000 Y=0.75000000 Z=0.57080000 Ca NPT= 781 R0=.000050000 RMT= 2.50000 Z: 20.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.02150000 Y=0.25000000 Z=0.68110000 MULT= 4 ISPLIT= 8 -2: X=0.97850000 Y=0.75000000 Z=0.31890000 -2: X=0.52150000 Y=0.25000000 Z=0.81890000 -2: X=0.47850000 Y=0.75000000 Z=0.18110000 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 ATOM -3: X=0.26190000 Y=0.25000000 Z=0.38980000 MULT= 4 ISPLIT= 8 -3: X=0.73810000 Y=0.75000000 Z=0.61020000 -3: X=0.76190000 Y=0.25000000 Z=0.11020000 -3: X=0.23810000 Y=0.75000000 Z=0.88980000 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