benchmarks/bzo/BZO_cubic_prim.xyz

5
Lattice="4.2 0.0 0.0 0.0 4.2 0.0 0.0 0.0 4.2" Properties=species:S:1:pos:R:3 pbc="T T T"
Ba       0.00000000       0.00000000       0.00000000
Zr       2.10000000       2.10000000       2.10000000
O        2.10000000       2.10000000       0.00000000
O        2.10000000       0.00000000       2.10000000
O        0.00000000       2.10000000       2.10000000