CXZ LATTICE,NONEQUIV.ATOMS 5 12 B2/m MODE OF CALC=RELA unit=bohr 23.770865 18.855687 9.261548 90.000000 90.000000 62.400000 ATOM -1: X=0.82910000 Y=0.71510000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.17090000 Y=0.28490000 Z=0.00000000 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=0.87280000 Y=0.06090000 Z=0.00000000 MULT= 2 ISPLIT= 8 -2: X=0.12720000 Y=0.93910000 Z=0.00000000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.43780000 Y=0.40880000 Z=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.56220000 Y=0.59120000 Z=0.00000000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.84080000 Y=0.36210000 Z=0.00000000 MULT= 2 ISPLIT= 8 -4: X=0.15920000 Y=0.63790000 Z=0.00000000 Hg NPT= 781 R0=.000005000 RMT= 2.50000 Z: 80.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.60600000 Y=0.08930000 Z=0.00000000 MULT= 2 ISPLIT= 8 -5: X=0.39400000 Y=0.91070000 Z=0.00000000 Hg NPT= 781 R0=.000005000 RMT= 2.50000 Z: 80.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000