Table 2 Atomic coordinates and equivalent atomic displacement parameters (U_eq.) of independent atomic positions for GdAu_6.75−xAl_0.5+x obtained from SC-XRD refinement.

Atom	Wyck	S.O.F	x/a	y/b	z/c	U_eq. [Å²]
Gd1	8d	1	0.12466 (6)	0.63653 (3)	0.25059 (12)	0.0110 (2)
Gd2	8d	1	0.12554 (6)	0.13240 (3)	0.25661 (12)	0.0110 (2)
Al1	4c	1	0.2330 (4)	0.25	0.4588 (13)	0.0135 (17)
Al2	4c	1	0.0182 (3)	0.25	0.0507 (14)	0.0135 (17)
Au1	4c	1	0.30269 (4)	0.25	0.91533 (14)	0.0107 (2)
Au2	4c	1	0.37525 (4)	0.25	0.42917 (14)	0.0112 (2)
Au3	4c	1	0.44895 (4)	0.25	0.91317 (15)	0.0112 (2)
Au4	4c	1	0.09639 (4)	0.25	0.49703 (15)	0.0145 (2)
Au5	4c	1	0.15522 (4)	0.25	0.01633 (15)	0.0147 (2)
Au6	8d	1	0.28774 (4)	0.15919 (3)	0.25412 (9)	0.0116 (2)
Au7	8d	1	0.04028 (4)	0.15902 (3)	0.7697 (1)	0.0127 (2)
Au8	8d	1	0.12486 (5)	0.50109 (2)	0.25097 (9)	0.0121 (2)
Au9	8d	1	0.46422 (4)	0.15897 (3)	0.25508 (9)	0.0111 (2)
Au10	8d	1	0.28982 (4)	0.65924 (3)	0.24258 (9)	0.0106 (2)
Au11	8d	1	0.37559 (5)	0.06020 (3)	0.2543 (1)	0.0158 (2)
Au12	8d	1	0.37484 (5)	0.55751 (3)	0.25893 (11)	0.0163 (2)
Au13	8d	0.912 (4)	0.00042 (4)	0.05792 (4)	0.50279 (14)	0.0188 (2)
Al13	8d	0.088 (4)	0.00042 (4)	0.05792 (4)	0.50279 (14)	0.0188 (2)
Au14	8d	0.772 (4)	0.25124 (4)	0.05744 (4)	0.00098 (15)	0.0165 (3)
Al14	8d	0.228 (4)	0.25124 (4)	0.05744 (4)	0.00098 (15)	0.0165 (3)
Au15	8d	0.715 (4)	0.24936 (4)	0.05787 (4)	0.50054 (15)	0.0160 (3)
Al15	8d	0.285 (4)	0.24936 (4)	0.05787 (4)	0.50054 (15)	0.0160 (3)
Au16	8d	0.533 (4)	0.00005 (5)	0.05586 (5)	0.00027 (18)	0.0133 (3)
Al16	8d	0.467 (4)	0.00005 (5)	0.05586 (5)	0.00027 (18)	0.0133 (3)

All atomic positions are normalized, Wyckhoff positions (Wyck.), site occupancy factors (S. O. F.) are listed and U_eq. = 1/3(U₁₁ + U₂₂ + U₃₃).

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