NpCoGa5( PRb 69 , 184411 2004 Colineau) P LATTICE,NONEQUIV.ATOMS: 4 123 P4/mmm MODE OF CALC=RELA unit=bohr 7.998487 7.998487 12.821576 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT=-2 Np1 NPT= 781 R0=0.00005000 RMT= 2.50000 Z: 93.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.00000000 Z=0.50000000 MULT= 1 ISPLIT=-2 Co1 NPT= 781 R0=0.00010000 RMT= 2.47 Z: 27.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.50000000 Y=0.50000000 Z=0.00000000 MULT= 1 ISPLIT=-2 Ga1 NPT= 781 R0=0.00010000 RMT= 2.19 Z: 31.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.50000000 Y=0.00000000 Z=0.31030000 MULT= 4 ISPLIT= 8 -4: X=0.00000000 Y=0.50000000 Z=0.31030000 -4: X=0.50000000 Y=0.00000000 Z=0.68970000 -4: X=0.00000000 Y=0.50000000 Z=0.68970000 Ga2 NPT= 781 R0=0.00010000 RMT= 2.19 Z: 31.0 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 -1 0 0 0.00000000 0-1 0 0.00000000 0 0 1 0.00000000 2 0-1 0 0.00000000 1 0 0 0.00000000 0 0 1 0.00000000 3 0 1 0 0.00000000 -1 0 0 0.00000000 0 0 1 0.00000000 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 0 1 0 0.00000000 1 0 0 0.00000000 0 0-1 0.00000000 7 0-1 0 0.00000000 -1 0 0 0.00000000 0 0-1 0.00000000 8 -1 0 0 0.00000000 0-1 0 0.00000000 0 0-1 0.00000000 9 1 0 0 0.00000000 0 1 0 0.00000000 0 0-1 0.00000000 10 0 1 0 0.00000000 -1 0 0 0.00000000 0 0-1 0.00000000 11 0-1 0 0.00000000 1 0 0 0.00000000 0 0-1 0.00000000 12 1 0 0 0.00000000 0-1 0 0.00000000 0 0 1 0.00000000 13 -1 0 0 0.00000000 0 1 0 0.00000000 0 0 1 0.00000000 14 0-1 0 0.00000000 -1 0 0 0.00000000 0 0 1 0.00000000 15 0 1 0 0.00000000 1 0 0 0.00000000 0 0 1 0.00000000 16