Fe30_M001 s-o calc. M|| 1.00 0.00 0.00 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: 0.0000000 0.0000000 1.0000000 0.0000000 1.0000000 0.0000000 -1.0000000 0.0000000 0.0000000 8 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 5 1 0 0 0.00000000 0-1 0 0.00000000 0 0-1 0.00000000 3 A 10 -1 0 0 0.00000000 0 1 0 0.00000000 0 0 1 0.00000000 4 A 14 -1 0 0 0.00000000 0-1 0 0.00000000 0 0 1 0.00000000 5 B 2 1 0 0 0.00000000 0 1 0 0.00000000 0 0-1 0.00000000 6 B 6 -1 0 0 0.00000000 0 1 0 0.00000000 0 0-1 0.00000000 7 B 9 1 0 0 0.00000000 0-1 0 0.00000000 0 0 1 0.00000000 8 B 13