H LATTICE,NONEQUIV.ATOMS 1 152 P3121 MODE OF CALC=RELA unit=bohr 7.475757 7.475757 9.579022 90.000000 90.000000120.000000 ATOM -1: X=0.24810000 Y=0.00000000 Z=0.33333333 MULT= 3 ISPLIT= 8 -1: X=0.00000000 Y=0.24810000 Z=0.66666666 -1: X=0.75190000 Y=0.75190000 Z=0.00000000 Se NPT= 781 R0=.000050000 RMT= 2.25 Z: 34.00000 LOCAL ROT MATRIX: 0.0000000-0.5000000 0.8660254 0.0000000-0.8660254-0.5000000 1.0000000 0.0000000 0.0000000