## This Atoms file was generated by Demeter 0.9.24 ## Demeter written by and copyright (c) Bruce Ravel, 2006-2015 title = Tris_Phenylthio_arsine title = Pappalardo et al., 1983_C39_P_1618_1620 space = R -3 a = 9.70600 b = 9.70600 c = 9.70600 alpha = 82.27000 beta = 82.27000 gamma = 82.27000 rmax = 8.00000 core = As1 # polarization = 0.0 0.0 0.0 shift = 0.00000 0.00000 0.00000 atoms # el. x y z tag As 0.10460 0.10460 0.10460 As1 S 0.03998 0.33298 0.12177 S1 C 0.85464 0.33110 0.14979 C1 C 0.77915 0.34183 0.03628 C2 C 0.63528 0.34838 0.05761 C3 C 0.56520 0.34237 0.19082 C4 C 0.64109 0.33011 0.30441 C5 C 0.21472 0.32388 0.28415 C6