P LATTICE,NONEQUIV.ATOMS 2 115 P-4m2 MODE OF CALC=RELA unit=bohr 7.672288 7.672288 7.914173 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT=-2 Mg NPT= 781 R0=.000100000 RMT= 2.11 Z: 12.00000 LOCAL ROT MATRIX: 0.7071068-0.7071068 0.0000000 0.7071068 0.7071068 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.50000000 Z=0.22800000 MULT= 2 ISPLIT= 8 -2: X=0.50000000 Y=0.00000000 Z=0.77200000 Cl NPT= 781 R0=.000100000 RMT= 2.11 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000