CXY LATTICE,NONEQUIV.ATOMS 7 63 Cmcm MODE OF CALC=RELA unit=bohr 11.279964 47.218587 11.258799 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.89376000 Z=0.25000000 MULT= 2 ISPLIT=15 -1: X=0.00000000 Y=0.10624000 Z=0.75000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.60629000 Z=0.25000000 MULT= 2 ISPLIT=15 -2: X=0.00000000 Y=0.39371000 Z=0.75000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.16158000 Z=0.25000000 MULT= 2 ISPLIT=15 -3: X=0.00000000 Y=0.83842000 Z=0.75000000 Zn NPT= 781 R0=.000050000 RMT= 2.00000 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.21455000 Y=0.29793000 Z=0.03557000 MULT= 8 ISPLIT=15 -4: X=0.78545000 Y=0.70207000 Z=0.96443000 -4: X=0.21455000 Y=0.29793000 Z=0.46443000 -4: X=0.78545000 Y=0.70207000 Z=0.53557000 -4: X=0.78545000 Y=0.29793000 Z=0.03557000 -4: X=0.21455000 Y=0.70207000 Z=0.96443000 -4: X=0.78545000 Y=0.29793000 Z=0.46443000 -4: X=0.21455000 Y=0.70207000 Z=0.53557000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.25926000 Y=0.00000000 Z=0.00000000 MULT= 4 ISPLIT=15 -5: X=0.74074000 Y=0.00000000 Z=0.00000000 -5: X=0.25926000 Y=0.00000000 Z=0.50000000 -5: X=0.74074000 Y=0.00000000 Z=0.50000000 Zn NPT= 781 R0=.000050000 RMT= 2.00000 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.00000000 Y=0.43359000 Z=0.25000000 MULT= 2 ISPLIT=15 -6: X=0.00000000 Y=0.56641000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.00000000 Y=0.05951000 Z=0.25000000 MULT= 2 ISPLIT=15 -7: X=0.00000000 Y=0.94049000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000