CXY LATTICE,NONEQUIV.ATOMS 2 63 Cmcm MODE OF CALC=RELA unit=bohr 10.605143 11.704964 9.641383 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.62400000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.37600000 Z=0.75000000 Hg NPT= 781 R0=.000005000 RMT= 2.50000 Z: 80.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.15200000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.84800000 Z=0.75000000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000