Initial structural parameters of (La_0.5Bi_0.5O)CuCh (Ch = S, Se, Te) systems.

Initial lattice parameter (Å)		(La0.5Bi0.5O)CuS	(La0.5Bi0.5O)CuSe	(La0.5Bi0.5O)CuTe
a		3.9938	4.0670	4.1808
c		8.5215	8.8006	9.3441
Atoms (site symmetry symbol)	Initial atomic positions
Cui: Cu1 (xCu, −yCu, zCu), Cu2 (−yCu, xCu, zCu) (2b)	(xCu, yCu, zCu)	(1/4, 1/4, 1/2)	(1/4, 1/4, 1/2)	(1/4, 1/4, 1/2)
Ok: O1 (xO, −yO, zO), O2 (−yO, xO, zO) (2a)	(xO, yO, zO)	(1/4, 1/4, 0)	(1/4, 1/4, 0)	(1/4, 1/4, 0)
La (xLa, xLa, zLa), Bi −(xBi, xBi, zBi) (2c)	(xLa = xBi, zLa = zBi)	(1/4, 0.14763)	(1/4, 0.13963)	(1/4, 0.1267)
Chj: Ch1 (xCh1, xCh1, zCh1), Ch2 −(xCh2, xCh2, zCh2) (2c)	(xCh1 = xCh2, zCh1 = zCh2)	(1/4, 0.6623)	(1/4, 0.6698)	(1/4, 0.6754)