B LATTICE,NONEQUIV.ATOMS 4 74 Imma MODE OF CALC=RELA unit=bohr 9.208258 15.764284 25.927421 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.25000000 Z=0.53260000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.75000000 Z=0.46740000 Ba NPT= 781 R0=.000010000 RMT= 2.50000 Z: 56.00000 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=0.25000000 Z=0.78970000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.75000000 Z=0.21030000 Ge NPT= 781 R0=.000050000 RMT= 2.40 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=0.09660000 Z=0.30760000 MULT= 4 ISPLIT= 8 -3: X=0.00000000 Y=0.90340000 Z=0.69240000 -3: X=0.00000000 Y=0.59660000 Z=0.69240000 -3: X=0.00000000 Y=0.40340000 Z=0.30760000 Ge NPT= 781 R0=.000050000 RMT= 2.40 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.02540000 Z=0.12260000 MULT= 4 ISPLIT= 8 -4: X=0.00000000 Y=0.97460000 Z=0.87740000 -4: X=0.00000000 Y=0.52540000 Z=0.87740000 -4: X=0.00000000 Y=0.47460000 Z=0.12260000 Ge NPT= 781 R0=.000050000 RMT= 2.40 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000