B LATTICE,NONEQUIV.ATOMS 1 74 Imma MODE OF CALC=RELA unit=bohr 11.018993 14.456405 5.064466 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.25000000 Z=0.12500000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.75000000 Z=0.87500000 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