CXZ LATTICE,NONEQUIV.ATOMS 2 12 B2/m MODE OF CALC=RELA unit=bohr 16.002579 7.482371 8.961837 90.000000 90.000000 88.112000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 8 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.67600000 Y=0.32500000 Z=0.00000000 MULT= 2 ISPLIT= 8 -2: X=0.32400000 Y=0.67500000 Z=0.00000000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000