ID:	4656
ICSD:	94400
Name:	Barium chloride thiocyanate
Comp.:	C1Ba1Cl1N1S1
Symm.:	P121/m1(11)
Latt.:	monoclinic
Spin:	0.000
Eg/Eg':	4.289/4.146 eV
me/mh:	-1569.282/40.896

high symmetry path:

G - Z - C - Y - G - B - D - E0 - A0 - Y

high symmetry points:

G: 0.0 0.0 0.0 C: 0.5 0.5 0.0 B: 0.0 0.0 0.5 D: 0.0 0.5 0.5 A0: 0.5 0.0 0.5 Y: 0.5 0.0 0.0 Z: 0.0 0.5 0.0 E0: 0.5 0.5 0.5