Cu1 O1
1.0
   0.00000000    2.11848697    2.11848697
   2.11848697    0.00000000    2.11848697
   2.11848697    2.11848697   -0.00000000
Cu O
1 1
direct
  -0.00000000   -0.00000000    0.00000000 Cu
   0.50000000    0.50000000    0.50000000 O
