Ir(100)-2x1_O
  2.711600
    0.9999999999999993    0.0000000000000000    0.0000000000000000
    0.0000000000000000    1.0000000000000000    0.0000000000000000
   -0.5000000000000000    0.5000000000000000    0.7071065053842750
   Ir
    1
Direct          Plane group = p4m                           
  0.0000001941827182  0.4999998058172831  0.4999999999999998
