P LATTICE,NONEQUIV.ATOMS 3 127 P4/mbm MODE OF CALC=RELA unit=bohr 13.423859 13.423859 7.832915 90.000000 90.000000 90.000000 ATOM -1: X=0.17683000 Y=0.67683000 Z=0.50000000 MULT= 4 ISPLIT=15 -1: X=0.82317000 Y=0.32317000 Z=0.50000000 -1: X=0.32317000 Y=0.17683000 Z=0.50000000 -1: X=0.67683000 Y=0.82317000 Z=0.50000000 Lu NPT= 781 R0=.000010000 RMT= 2.00000 Z: 71.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.62473000 Y=0.12473000 Z=0.00000000 MULT= 4 ISPLIT=15 -2: X=0.37527000 Y=0.87527000 Z=0.00000000 -2: X=0.87527000 Y=0.62473000 Z=0.00000000 -2: X=0.12473000 Y=0.37527000 Z=0.00000000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 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=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT=15 -3: X=0.50000000 Y=0.50000000 Z=0.00000000 Mg NPT= 781 R0=.000100000 RMT= 2.00000 Z: 12.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000