Ca
 1.0000000000000000
     1.9849333479879101   -3.4380054083528599    0.0000000000000000
     1.9849333479879101    3.4380054083528599    0.0000000000000000
     0.0000000000000000    0.0000000000000000    6.8674333656602000
 Ca 
   2
Cartesian
  1.9849333479879097  1.1460018027843093  1.7168583414150500
  1.9849333479879101 -1.1460018027843093  5.1505750242451498