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=0.50000000 Y=0.50000000 Z=0.50000000 MULT= 2 ISPLIT=15 1: X=0.00000000 Y=0.00000000 Z=0.00000000 Fe1 NPT= 781 R0=.000050000 RMT= 2.35 Z: 26. LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM 2: X=0.67630000 Y=0.86240000 Z=0.50000000 MULT= 4 ISPLIT=15 2: X=0.32370000 Y=0.13760000 Z=0.50000000 2: X=0.82370000 Y=0.36240000 Z=0.00000000 2: X=0.17630000 Y=0.63760000 Z=0.00000000 As1 NPT= 781 R0=.000050000 RMT= 2.09 Z: 33. 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 0.50000000 0 1 0 0.50000000 0 0-1 0.50000000 3 1 0 0 0.50000000 0-1 0 0.50000000 0 0-1 0.50000000 4 -1 0 0 0.00000000 0-1 0 0.00000000 0 0-1 0.00000000 5 1 0 0 0.00000000 0 1 0 0.00000000 0 0-1 0.00000000 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