 Cs Mo Br Cl
   1.0
     9.9548652299999993    0.0000000000000000    0.0000000000000000
    -4.9774326000000002    8.6211661799999995    0.0000000000000000
     0.0000000000000000    0.0000000000000000   15.1736350899999994
 Cs Mo Br Cl
   4  12  12  16
Direct
   0.0000000000000000  0.0000000000000000  0.5011872700000000
   0.0000000000000000  0.0000000000000000  0.0011872700000000
   0.3333333300000000  0.6666666700000000  0.2499595500000000
   0.6666666700000000  0.3333333300000000  0.7499595500000000
   0.5164467600000000  0.3343840000000000  0.3197253500000000
   0.6656160000000000  0.1820627700000000  0.3197253500000000
   0.3349840000000000  0.8182257800000000  0.6804109700000001
   0.4832417700000000  0.6650160000000001  0.6804109700000001
   0.3343840000000000  0.5164467600000000  0.8197253500000000
   0.4835532400000000  0.8179372300000000  0.8197253500000000
   0.1820627700000000  0.6656160000000000  0.8197253500000000
   0.8179372300000000  0.4835532400000000  0.3197253500000000
   0.5167582300000000  0.1817742200000000  0.1804109700000000
   0.8182257800000000  0.3349840000000000  0.1804109700000000
   0.1817742200000000  0.5167582300000000  0.6804109700000001
   0.6650160000000001  0.4832417700000000  0.1804109700000000
   0.3521534900000000  0.0448947400000000  0.5895863800000001
   0.9557453200000000  0.6492765000000000  0.9105243800000000
   0.6492765000000000  0.9557453200000000  0.4105243800000000
   0.6935311700000000  0.0442546800000000  0.9105243800000000
   0.6478465099999999  0.6927412900000001  0.0895863800000000
   0.3507235000000000  0.3064688300000000  0.9105243800000000
   0.3064688300000000  0.3507235000000000  0.4105243800000000
   0.0442546800000000  0.6935311700000000  0.4105243800000000
   0.0448947400000000  0.3521534900000000  0.0895863800000000
   0.3072587100000000  0.9551052600000000  0.0895863800000000
   0.6927412900000001  0.6478465099999999  0.5895863800000001
   0.9551052600000000  0.3072587100000000  0.5895863800000001
   0.3333333300000000  0.6666666700000000  0.5533172399999999
   0.6698651400000000  0.6189910900000000  0.3172064000000000
   0.3804515700000000  0.3290136200000000  0.1829282300000000
   0.6195484300000000  0.9485620500000000  0.6829282300000000
   0.9485620500000000  0.6195484300000000  0.1829282300000000
   0.3290136200000000  0.3804515700000000  0.6829282300000000
   0.0508740600000000  0.3810089100000000  0.8172064000000000
   0.3301348600000000  0.9491259399999999  0.8172064000000000
   0.3810089100000000  0.0508740600000000  0.3172064000000000
   0.6666666700000000  0.3333333300000000  0.4467907400000000
   0.0514379500000000  0.6709863800000000  0.6829282300000000
   0.6189910900000000  0.6698651400000000  0.8172064000000000
   0.6709863800000000  0.0514379500000000  0.1829282300000000
   0.3333333300000000  0.6666666700000000  0.9467907400000000
   0.9491259399999999  0.3301348600000000  0.3172064000000000
   0.6666666700000000  0.3333333300000000  0.0533172400000000