Accuracy
 hg(ii)s2i2 (hgitur) r 
 
  7961 Hg(II)S2I2 (HGITUR) (Geo)
  
   
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  REF:  The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PM7
Hg(II)S2I2 (HGITUR)
 <Hg-I> <><I-Hg-I> <Hg-S> GR=CCDC
  I     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Hg     2.84113300 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.56238855 +1  101.4396610 +1    0.0000000 +0     2     1     0
  S     2.46061700 +1  111.0745181 +1 -179.4587634 +1     2     1     3
  N     6.61219657 +1   40.8155730 +1  -27.3841744 +1     2     1     4
  S     3.97811998 +1   32.4132558 +1   -0.4262645 +1     2     1     5
  C     1.77556689 +1  104.8769323 +1   38.6519957 +1     4     2     1
  N     1.33053260 +1  123.5569209 +1  -69.6046472 +1     7     4     2
  N     1.36546043 +1  116.4231955 +1 -176.2004908 +1     7     4     8
  H     2.59015527 +1   76.4720452 +1 -153.6788506 +1     5     2     1
  H     0.99743821 +1  147.3044098 +1    3.1175174 +1     5     2    10
  H     1.00620314 +1   96.5503524 +1  173.1883379 +1     5     2    11
  H     1.00741941 +1  122.9021977 +1  179.3474720 +1     8     7     4
  H     1.08923202 +1  123.3035173 +1 -169.6515738 +1     8     7    13
  H     1.00125598 +1  122.8910452 +1  174.1546346 +1     9     7     4
  H     1.00783492 +1  120.9607254 +1 -174.1140313 +1     9     7    15
  H     1.69438651 +1   96.0207779 +1    2.8307300 +1    10     5     2
  C     1.36200883 +1   22.5977809 +1 -172.1164159 +1     5     2    12
  N     0.99809809 +1   63.9075273 +1   -4.6467392 +1    10     5    17