H LATTICE,NONEQUIV.ATOMS 1 152 P3121 MODE OF CALC=RELA unit=bohr 8.046454 8.046454 11.274106 90.000000 90.000000120.000000 ATOM -1: X=0.27350000 Y=0.00000000 Z=0.33333333 MULT= 3 ISPLIT= 8 -1: X=0.00000000 Y=0.27350000 Z=0.66666666 -1: X=0.72650000 Y=0.72650000 Z=0.00000000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 0.0000000-0.5000000 0.8660254 0.0000000-0.8660254-0.5000000 1.0000000 0.0000000 0.0000000