blebleble P LATTICE,NONEQUIV.ATOMS 2 58 Pnnm MODE OF CALC=RELA unit=bohr 10.017816 11.311523 5.446569 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.50000000 Y=0.50000000 Z=0.50000000 Fe NPT= 781 R0=.000050000 RMT= 2.35 Z: 26.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.17630000 Y=0.36240000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.67630000 Y=0.13760000 Z=0.50000000 -2: X=0.32370000 Y=0.86240000 Z=0.50000000 -2: X=0.82370000 Y=0.63760000 Z=0.00000000 As NPT= 781 R0=.000050000 RMT= 2.09 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 8 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 1 0 0 0.00000000 0 1 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 -1 0 0 0.50000000 0 1 0 0.50000000 0 0 1 0.50000000 5 1 0 0 0.50000000 0-1 0 0.50000000 0 0-1 0.50000000 6 1 0 0 0.50000000 0-1 0 0.50000000 0 0 1 0.50000000 7 -1 0 0 0.50000000 0 1 0 0.50000000 0 0-1 0.50000000 8