SCSD model generated from precomputed using D4h symmetry, available as ptpop

Table 1; Model atom positions

xyzat
-2.9984-1.2049-2.0869O
-2.99841.2049-2.0869O
-1.20492.9984-2.0869O
1.20492.9984-2.0869O
2.99841.2049-2.0869O
2.9984-1.2049-2.0869O
1.2049-2.9984-2.0869O
-1.2049-2.9984-2.0869O
-2.9984-1.20492.0869O
-2.99841.20492.0869O
-1.20492.99842.0869O
1.20492.99842.0869O
2.99841.20492.0869O
2.9984-1.20492.0869O
1.2049-2.99842.0869O
-1.2049-2.99842.0869O
-2.8587-0.0-0.0O
0.02.85870.0O
2.85870.00.0O
-0.0-2.8587-0.0O
0.02.32021.4741P
2.3202-0.01.4741P
-0.0-2.32021.4741P
-2.32020.01.4741P
-2.32020.0-1.4741P
0.02.3202-1.4741P
2.3202-0.0-1.4741P
-0.0-2.3202-1.4741P
0.00.0-1.4648PT
-0.0-0.01.4648PT