COL  ICSD Collection Code 29300
 DATE Recorded Jan 1, 1980; updated Jun 26, 1985
 NAME Iron sulfide (.95/1.05)
 MINR Pyrrhotine - from Freiberg
 FORM Fe.95 S1.05
      = Fe.95 S1.05
 TITL Roentgenographische Untersuchungen der Kristallstrukturen von 
      Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten 
      Verbindungen
 REF  Geologiska Foereningens i Stockholm Foerhandlingar
      GFSFA 47 (1925) 19-73
 AUT  Alsen N
 CELL a=3.430 b=3.430 c=5.680 à=90.0 á=90.0 ç=120.0
      V=57.9 Z=2
 SGR  P 63/m m c    (194) - hexagonal
 CLAS 6/mmm (Hermann-Mauguin) - D6h (Schoenflies)
 PRS  hP4
 ANX  AX
 PARM Atom__No OxStat  Wyck ---X--- ---Y--- ---Z---  -SOF-
      Fe     1  2.200    2a  0.      0.      0.        0.95
      S      1 -2.000    2a  0.      0.      0.        0.05
      S      2 -2.000    2d  1/3     2/3     1/4
 WYCK d a
 TEST No R value given in the paper. (Code 51)
 TEST At least one temperature factor missing in the paper. (Code 53)