blebleble H LATTICE,NONEQUIV.ATOMS: 5 191 P6/mmm MODE OF CALC=RELA unit=bohr 10.850807 10.850807 17.990193 90.000000 90.000000120.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 4 Lu1 NPT= 781 R0=.000010000 RMT= 2.50000 Z: 71. LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.66666667 Y=0.33333333 Z=0.00000000 MULT= 2 ISPLIT= 4 -2: X=0.33333333 Y=0.66666667 Z=0.00000000 Sn1 NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50. LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.33333333 Y=0.66666667 Z=0.50000000 MULT= 2 ISPLIT= 4 -3: X=0.66666667 Y=0.33333333 Z=0.50000000 Sn2 NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50. 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=0.00000000 Z=0.32739000 MULT= 2 ISPLIT= 4 -4: X=0.00000000 Y=0.00000000 Z=0.67261000 Sn3 NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50. LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.50000000 Y=0.50000000 Z=0.24876000 MULT= 6 ISPLIT= 8 -5: X=0.50000000 Y=0.00000000 Z=0.24876000 -5: X=0.00000000 Y=0.50000000 Z=0.24876000 -5: X=0.50000000 Y=0.50000000 Z=0.75124000 -5: X=0.00000000 Y=0.50000000 Z=0.75124000 -5: X=0.50000000 Y=0.00000000 Z=0.75124000 Nb1 NPT= 781 R0=.000010000 RMT= 2.50000 Z: 41. LOCAL ROT MATRIX: -0.8660254 0.5000000 0.0000000 -0.5000000-0.8660254 0.0000000 0.0000000 0.0000000 1.0000000 24 NUMBER OF SYMMETRY OPERATIONS 1 0 0 0.00000000 0 1 0 0.00000000 0 0 1 0.00000000 1 0-1 0 0.00000000 1-1 0 0.00000000 0 0 1 0.00000000 2 -1 1 0 0.00000000 -1 0 0 0.00000000 0 0 1 0.00000000 3 -1 0 0 0.00000000 0-1 0 0.00000000 0 0 1 0.00000000 4 0 1 0 0.00000000 -1 1 0 0.00000000 0 0 1 0.00000000 5 1-1 0 0.00000000 1 0 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 1-1 0 0.00000000 0-1 0 0.00000000 0 0-1 0.00000000 8 -1 0 0 0.00000000 -1 1 0 0.00000000 0 0-1 0.00000000 9 0-1 0 0.00000000 -1 0 0 0.00000000 0 0-1 0.00000000 10 -1 1 0 0.00000000 0 1 0 0.00000000 0 0-1 0.00000000 11 1 0 0 0.00000000 1-1 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 0 1 0 0.00000000 -1 1 0 0.00000000 0 0-1 0.00000000 14 1-1 0 0.00000000 1 0 0 0.00000000 0 0-1 0.00000000 15 1 0 0 0.00000000 0 1 0 0.00000000 0 0-1 0.00000000 16 0-1 0 0.00000000 1-1 0 0.00000000 0 0-1 0.00000000 17 -1 1 0 0.00000000 -1 0 0 0.00000000 0 0-1 0.00000000 18 0-1 0 0.00000000 -1 0 0 0.00000000 0 0 1 0.00000000 19 -1 1 0 0.00000000 0 1 0 0.00000000 0 0 1 0.00000000 20 1 0 0 0.00000000 1-1 0 0.00000000 0 0 1 0.00000000 21 0 1 0 0.00000000 1 0 0 0.00000000 0 0 1 0.00000000 22 1-1 0 0.00000000 0-1 0 0.00000000 0 0 1 0.00000000 23 -1 0 0 0.00000000 -1 1 0 0.00000000 0 0 1 0.00000000 24