URu2Si2 B LATTICE,NONEQUIV.ATOMS: 3 139 I4/mmm MODE OF CALC=RELA unit=ang 7.793200 7.793200 18.059400 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT=-2 U 1 NPT= 781 R0=0.00010000 RMT= 2.50000 Z: 92.0 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=0.50000000 Z=0.25000000 MULT= 2 ISPLIT=-2 -2: X=0.50000000 Y=0.00000000 Z=0.25000000 Ru1 NPT= 781 R0=0.00010000 RMT= 2.36 Z: 44.0 LOCAL ROT MATRIX: 0.7071068-0.7071068 0.0000000 0.7071068 0.7071068 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.00000000 Z=0.62730000 MULT= 2 ISPLIT=-2 -3: X=0.00000000 Y=0.00000000 Z=0.37270000 Si1 NPT= 781 R0=0.00010000 RMT= 2.09 Z: 14.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 16 NUMBER OF SYMMETRY OPERATIONS 1 0 0 0.00000000 0 1 0 0.00000000 0 0 1 0.00000000 1 -1 0 0 0.00000000 0-1 0 0.00000000 0 0 1 0.00000000 2 0-1 0 0.00000000 1 0 0 0.00000000 0 0 1 0.00000000 3 0 1 0 0.00000000 -1 0 0 0.00000000 0 0 1 0.00000000 4 -1 0 0 0.00000000 0 1 0 0.00000000 0 0-1 0.00000000 5 1 0 0 0.00000000 0-1 0 0.00000000 0 0-1 0.00000000 6 0 1 0 0.00000000 1 0 0 0.00000000 0 0-1 0.00000000 7 0-1 0 0.00000000 -1 0 0 0.00000000 0 0-1 0.00000000 8 -1 0 0 0.00000000 0-1 0 0.00000000 0 0-1 0.00000000 9 1 0 0 0.00000000 0 1 0 0.00000000 0 0-1 0.00000000 10 0 1 0 0.00000000 -1 0 0 0.00000000 0 0-1 0.00000000 11 0-1 0 0.00000000 1 0 0 0.00000000 0 0-1 0.00000000 12 1 0 0 0.00000000 0-1 0 0.00000000 0 0 1 0.00000000 13 -1 0 0 0.00000000 0 1 0 0.00000000 0 0 1 0.00000000 14 0-1 0 0.00000000 -1 0 0 0.00000000 0 0 1 0.00000000 15 0 1 0 0.00000000 1 0 0 0.00000000 0 0 1 0.00000000 16