Fe30_M001 s-o calc. M|| 0.00 0.00 1.00 B 1 229 RELA 5.416902 5.416902 5.416902 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT=-2 Fe1 NPT= 781 R0=.000050000 RMT= 2.33000 Z: 26.00000 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 A 1 so. oper. type orig. index -1 0 0 0.00000000 0-1 0 0.00000000 0 0 1 0.00000000 2 A 2 0 1 0 0.00000000 -1 0 0 0.00000000 0 0 1 0.00000000 3 A 15 0-1 0 0.00000000 1 0 0 0.00000000 0 0 1 0.00000000 4 A 16 -1 0 0 0.00000000 0-1 0 0.00000000 0 0-1 0.00000000 5 A 25 1 0 0 0.00000000 0 1 0 0.00000000 0 0-1 0.00000000 6 A 26 0-1 0 0.00000000 1 0 0 0.00000000 0 0-1 0.00000000 7 A 39 0 1 0 0.00000000 -1 0 0 0.00000000 0 0-1 0.00000000 8 A 40 -1 0 0 0.00000000 0 1 0 0.00000000 0 0-1 0.00000000 9 B 3 1 0 0 0.00000000 0-1 0 0.00000000 0 0-1 0.00000000 10 B 4 0 1 0 0.00000000 1 0 0 0.00000000 0 0-1 0.00000000 11 B 13 0-1 0 0.00000000 -1 0 0 0.00000000 0 0-1 0.00000000 12 B 14 1 0 0 0.00000000 0-1 0 0.00000000 0 0 1 0.00000000 13 B 27 -1 0 0 0.00000000 0 1 0 0.00000000 0 0 1 0.00000000 14 B 28 0-1 0 0.00000000 -1 0 0 0.00000000 0 0 1 0.00000000 15 B 37 0 1 0 0.00000000 1 0 0 0.00000000 0 0 1 0.00000000 16 B 38