P LATTICE,NONEQUIV.ATOMS 4 62 Pnma MODE OF CALC=RELA unit=bohr 13.478661 19.080943 13.501526 90.000000 90.000000 90.000000 ATOM -1: X=0.00540000 Y=0.25000000 Z=0.05700000 MULT= 4 ISPLIT= 8 -1: X=0.99460000 Y=0.75000000 Z=0.94300000 -1: X=0.50540000 Y=0.25000000 Z=0.44300000 -1: X=0.49460000 Y=0.75000000 Z=0.55700000 Sr NPT= 781 R0=.000010000 RMT= 2.39 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.27420000 Y=0.52850000 Z=0.22760000 MULT= 8 ISPLIT= 8 -2: X=0.72580000 Y=0.47150000 Z=0.77240000 -2: X=0.77420000 Y=0.52850000 Z=0.27240000 -2: X=0.22580000 Y=0.47150000 Z=0.72760000 -2: X=0.22580000 Y=0.02850000 Z=0.72760000 -2: X=0.77420000 Y=0.97150000 Z=0.27240000 -2: X=0.72580000 Y=0.02850000 Z=0.77240000 -2: X=0.27420000 Y=0.97150000 Z=0.22760000 Sr NPT= 781 R0=.000010000 RMT= 2.39 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.48780000 Y=0.25000000 Z=0.00900000 MULT= 4 ISPLIT= 8 -3: X=0.51220000 Y=0.75000000 Z=0.99100000 -3: X=0.98780000 Y=0.25000000 Z=0.49100000 -3: X=0.01220000 Y=0.75000000 Z=0.50900000 Ge NPT= 781 R0=.000050000 RMT= 2.50000 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.50000000 Y=0.00000000 Z=0.50000000 -4: X=0.50000000 Y=0.50000000 Z=0.50000000 -4: X=0.00000000 Y=0.50000000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 2.39 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000