
# SrZrO3 parent
221
4.084 4.084 4.084 90 90 90
3
Sr 1 1a 0.000000 0.000000 0.000000
Zr 1 1b 0.500000 0.500000 0.500000
O 1 3c 0.500000 0.000000 0.500000

# SrZrO3 Pnma phase
62
5.8206 8.1949 5.8045 90 90 90
4
Sr 1 4c 0.524000 0.250000 0.004000
Zr 1 4a 0.000000 0.000000 0.000000
O 1 4c -0.013000 0.250000 -0.069000
O 2 8d 0.284000 0.036000 0.215000