  95
CuFeS_2 & Chalcopyrite & I(-4)2d #122 D^{12}_{2d} & E1_1 & tI16                
Fe      .00000000      .00000000     5.20510000
Cu      .00000000      .00000000    10.41020000
Fe     2.64320000     2.64320000    10.41020000
Fe      .00000000     5.28640000     5.20510000
Fe      .00000000     2.64320000     7.80765000
Cu      .00000000     5.28640000    10.41020000
Fe     2.64320000     7.92960000    10.41020000
S      1.32160000     3.92779500     9.10892500
Fe      .00000000    10.57280000     5.20510000
Fe      .00000000     7.92960000     7.80765000
Cu      .00000000    10.57280000    10.41020000
S      1.32160000     9.21419500     9.10892500
Cu     2.64320000      .00000000     7.80765000
Fe     5.28640000      .00000000     5.20510000
Cu     5.28640000      .00000000    10.41020000
Fe     7.92960000     2.64320000    10.41020000
S      3.96480000     1.35860500     9.10892500
Cu      .00000000      .00000000      .00000000
Cu      .00000000     2.64320000     2.60255000
Fe     2.64320000     2.64320000      .00000000
Fe     2.64320000      .00000000     2.60255000
S      1.35860500     1.32160000     1.30127500
Cu     2.64320000     2.64320000     5.20510000
Cu     2.64320000     5.28640000     7.80765000
Fe     5.28640000     5.28640000     5.20510000
Fe     5.28640000     2.64320000     7.80765000
S      4.00180500     3.96480000     6.50637500
S      1.28459500     1.32160000     6.50637500
S      1.32160000     4.00180500     3.90382500
S      3.96480000     1.28459500     3.90382500
Cu     5.28640000     5.28640000    10.41020000
Fe     7.92960000     7.92960000    10.41020000
S      3.96480000     6.64500500     9.10892500
S      6.60800000     3.92779500     9.10892500
Cu      .00000000     5.28640000      .00000000
Cu      .00000000     7.92960000     2.60255000
Fe     2.64320000     7.92960000      .00000000
Fe     2.64320000     5.28640000     2.60255000
S      1.35860500     6.60800000     1.30127500
Cu     2.64320000     7.92960000     5.20510000
Cu     2.64320000    10.57280000     7.80765000
Fe     5.28640000    10.57280000     5.20510000
Fe     5.28640000     7.92960000     7.80765000
S      4.00180500     9.25120000     6.50637500
S      1.28459500     6.60800000     6.50637500
S      1.32160000     9.28820500     3.90382500
S      3.96480000     6.57099500     3.90382500
Cu     5.28640000    10.57280000    10.41020000
S      6.60800000     9.21419500     9.10892500
Cu      .00000000    10.57280000      .00000000
Fe     2.64320000    10.57280000     2.60255000
Cu     7.92960000      .00000000     7.80765000
Fe    10.57280000      .00000000     5.20510000
Cu    10.57280000      .00000000    10.41020000
S      9.25120000     1.35860500     9.10892500
Cu     5.28640000      .00000000      .00000000
Cu     5.28640000     2.64320000     2.60255000
Fe     7.92960000     2.64320000      .00000000
Fe     7.92960000      .00000000     2.60255000
S      6.64500500     1.32160000     1.30127500
Cu     7.92960000     2.64320000     5.20510000
Cu     7.92960000     5.28640000     7.80765000
Fe    10.57280000     5.28640000     5.20510000
Fe    10.57280000     2.64320000     7.80765000
S      9.28820500     3.96480000     6.50637500
S      6.57099500     1.32160000     6.50637500
S      6.60800000     4.00180500     3.90382500
S      9.25120000     1.28459500     3.90382500
Cu    10.57280000     5.28640000    10.41020000
S      9.25120000     6.64500500     9.10892500
Cu     5.28640000     5.28640000      .00000000
Cu     5.28640000     7.92960000     2.60255000
Fe     7.92960000     7.92960000      .00000000
Fe     7.92960000     5.28640000     2.60255000
S      6.64500500     6.60800000     1.30127500
S      3.92779500     3.96480000     1.30127500
Cu     7.92960000     7.92960000     5.20510000
Cu     7.92960000    10.57280000     7.80765000
Fe    10.57280000    10.57280000     5.20510000
Fe    10.57280000     7.92960000     7.80765000
S      9.28820500     9.25120000     6.50637500
S      6.57099500     6.60800000     6.50637500
S      6.60800000     9.28820500     3.90382500
S      9.25120000     6.57099500     3.90382500
Cu    10.57280000    10.57280000    10.41020000
Cu     5.28640000    10.57280000      .00000000
Fe     7.92960000    10.57280000     2.60255000
S      3.92779500     9.25120000     1.30127500
Cu    10.57280000      .00000000      .00000000
Cu    10.57280000     2.64320000     2.60255000
Cu    10.57280000     5.28640000      .00000000
Cu    10.57280000     7.92960000     2.60255000
S      9.21419500     3.96480000     1.30127500
Cu    10.57280000    10.57280000      .00000000
S      9.21419500     9.25120000     1.30127500
