B LATTICE,NONEQUIV.ATOMS 4 107 I4mm MODE OF CALC=RELA unit=bohr 9.165172 9.165172 20.919268 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT=-2 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=0.00000000 Z=0.34630000 MULT= 1 ISPLIT=-2 Pt NPT= 781 R0=.000005000 RMT= 2.47 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=0.00000000 Z=0.57780000 MULT= 1 ISPLIT=-2 Sn NPT= 781 R0=.000010000 RMT= 2.35 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=0.00000000 Y=0.50000000 Z=0.24840000 MULT= 2 ISPLIT= 8 -4: X=0.50000000 Y=0.00000000 Z=0.24840000 Sn NPT= 781 R0=.000010000 RMT= 2.35 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000