 C O Ca Ba
   1.0
     6.5213815100000003    0.0000000000000000   -0.0195702700000000
     0.0000000000000000    5.2367413599999999    0.0000000000000000
    -2.2545943199999998    0.0000000000000000    7.7427309199999996
 C O Ca Ba
   4  12   2   2
Direct
   0.7470582900000000  0.7500000000000000  0.6150031100000000
   0.2529417100000000  0.2500000000000000  0.3849968900000000
   0.2483414200000000  0.2500000000000000  0.8990973700000000
   0.7516585800000000  0.7500000000000000  0.1009026300000000
   0.1512374800000000  0.0376968900000000  0.3933164000000000
   0.8487625200000000  0.5376968900000000  0.6066836000000000
   0.1512374800000000  0.4623031100000000  0.3933164000000000
   0.8487625200000000  0.9623031100000000  0.6066836000000000
   0.8598566800000000  0.7500000000000000  0.9899417300000000
   0.1401433200000000  0.2500000000000000  0.0100582700000000
   0.6912990700000000  0.5364216900000001  0.1540878500000000
   0.3087009300000000  0.0364216900000000  0.8459121500000000
   0.6912990700000000  0.9635783100000000  0.1540878500000000
   0.3087009300000000  0.4635783100000000  0.8459121500000000
   0.4389070500000000  0.2500000000000000  0.3632397800000000
   0.5610929499999999  0.7500000000000000  0.6367602200000000
   0.1963310200000000  0.7500000000000000  0.6229318100000000
   0.8036689800000000  0.2500000000000000  0.3770681900000000
   0.7107184700000000  0.2500000000000000  0.8521739800000000
   0.2892815300000000  0.7500000000000000  0.1478260200000000