SCSD model generated from precomputed using D_4h symmetry, available as ptpop

Table 1; Model atom positions

x	y	z	at
-2.9984	-1.2049	-2.0869	O
-2.9984	1.2049	-2.0869	O
-1.2049	2.9984	-2.0869	O
1.2049	2.9984	-2.0869	O
2.9984	1.2049	-2.0869	O
2.9984	-1.2049	-2.0869	O
1.2049	-2.9984	-2.0869	O
-1.2049	-2.9984	-2.0869	O
-2.9984	-1.2049	2.0869	O
-2.9984	1.2049	2.0869	O
-1.2049	2.9984	2.0869	O
1.2049	2.9984	2.0869	O
2.9984	1.2049	2.0869	O
2.9984	-1.2049	2.0869	O
1.2049	-2.9984	2.0869	O
-1.2049	-2.9984	2.0869	O
-2.8587	-0.0	-0.0	O
0.0	2.8587	0.0	O
2.8587	0.0	0.0	O
-0.0	-2.8587	-0.0	O
0.0	2.3202	1.4741	P
2.3202	-0.0	1.4741	P
-0.0	-2.3202	1.4741	P
-2.3202	0.0	1.4741	P
-2.3202	0.0	-1.4741	P
0.0	2.3202	-1.4741	P
2.3202	-0.0	-1.4741	P
-0.0	-2.3202	-1.4741	P
0.0	0.0	-1.4648	PT
-0.0	-0.0	1.4648	PT

Figure 2; Model atom positions and symmetry operations