Ca  H  O 
 1.0000000000000000
     3.6259114252465894   -0.0000000000000000   -0.0000000000000000
    -1.8129557126232947    3.1401314061357883    0.0000000000000000
     0.0000000000000000    0.0000000000000000    5.0213239332428623
 Ca  H   O  
   1   2   2
Selective dynamics
Cartesian
  0.0000000000000000  0.0000000000000000  0.0000000000000000   T   T   T
 -0.0000000000000007  2.0934209374238586  2.8722975660452281   T   T   T
  1.8129557126232954  1.0467104687119295  2.1490263671976360   T   T   T
 -0.0000000000000007  2.0934209374238586  3.8154048879606819   T   T   T
  1.8129557126232954  1.0467104687119295  1.2059190452821835   T   T   T