P LATTICE,NONEQUIV.ATOMS 3 11 P21/m MODE OF CALC=RELA unit=bohr 17.342017 9.235092 8.088028 90.000000 90.000000101.680000 ATOM -1: X=0.28600000 Y=0.40720000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.71400000 Y=0.59280000 Z=0.75000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.01900000 Y=0.81120000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.98100000 Y=0.18880000 Z=0.75000000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.61050000 Y=0.05350000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.38950000 Y=0.94650000 Z=0.75000000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000