P LATTICE,NONEQUIV.ATOMS 2 14 P21/n MODE OF CALC=RELA unit=bohr 12.429107 12.222749 12.430619 90.000000 90.000000120.560000 ATOM -1: X=0.32100000 Y=0.00870000 Z=0.17750000 MULT= 4 ISPLIT= 8 -1: X=0.67900000 Y=0.99130000 Z=0.82250000 -1: X=0.17900000 Y=0.49130000 Z=0.67750000 -1: X=0.82100000 Y=0.50870000 Z=0.32250000 Bi NPT= 781 R0=.000005000 RMT= 2.07 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.19240000 Y=0.42030000 Z=0.00390000 MULT= 4 ISPLIT= 8 -2: X=0.80760000 Y=0.57970000 Z=0.99610000 -2: X=0.30760000 Y=0.07970000 Z=0.50390000 -2: X=0.69240000 Y=0.92030000 Z=0.49610000 Bi NPT= 781 R0=.000005000 RMT= 2.07 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000