B LATTICE,NONEQUIV.ATOMS 4 107 I4mm MODE OF CALC=RELA unit=bohr 8.461816 8.461816 19.155398 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT=-2 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.00000000 Z=0.35520000 MULT= 1 ISPLIT=-2 Pt NPT= 781 R0=.000005000 RMT= 2.44 Z: 78.00000 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=0.50000000 Z=0.24300000 MULT= 2 ISPLIT= 8 -3: X=0.50000000 Y=0.00000000 Z=0.24300000 Ge NPT= 781 R0=.000050000 RMT= 2.20 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 -4: X=0.00000000 Y=0.00000000 Z=0.59880000 MULT= 1 ISPLIT=-2 Ge NPT= 781 R0=.000050000 RMT= 2.20 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000