P LATTICE,NONEQUIV.ATOMS 4 11 P21/m MODE OF CALC=RELA unit=bohr 15.095132 10.960412 13.116589 90.000000 90.000000106.340000 ATOM -1: X=0.70570000 Y=0.32570000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.29430000 Y=0.67430000 Z=0.75000000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.12050000 Y=0.07380000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.87950000 Y=0.92620000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.28 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.32330000 Y=0.18780000 Z=0.00620000 MULT= 4 ISPLIT= 8 -3: X=0.67670000 Y=0.81220000 Z=0.99380000 -3: X=0.67670000 Y=0.81220000 Z=0.50620000 -3: X=0.32330000 Y=0.18780000 Z=0.49380000 Cl NPT= 781 R0=.000100000 RMT= 2.06 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 -4: X=0.12560000 Y=0.67610000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.87440000 Y=0.32390000 Z=0.75000000 Cl NPT= 781 R0=.000100000 RMT= 2.06 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000