110
1_LSnFeN2
 Sn                 0.57180000    0.04270000   -0.10160000
 Fe                -1.90160000   -0.13990000   -0.14720000
 P                 -1.31710000   -2.37270000   -0.57370000
 P                 -1.61200000    0.45870000    2.06610000
 P                 -1.65240000    1.80420000   -1.31810000
 N                  1.26770000   -1.68230000   -1.08500000
 N                  1.11270000    0.11100000    1.93830000
 N                  1.11830000    1.82830000   -1.06340000
 N                  2.99070000    0.12830000   -0.04070000
 N                 -3.69880000   -0.29360000   -0.19700000
 N                 -4.81820000   -0.39340000   -0.28190000
 C                  3.38960000   -0.59600000   -1.24010000
 C                  4.59510000   -0.36180000   -1.88570000
 H                  5.26310000    0.41020000   -1.49500000
 C                  4.94910000   -1.09740000   -3.02020000
 H                  5.90170000   -0.91130000   -3.51920000
 C                  4.07150000   -2.06820000   -3.49870000
 H                  4.33710000   -2.65500000   -4.38200000
 C                  2.84620000   -2.29660000   -2.87550000
 H                  2.16270000   -3.04790000   -3.27770000
 C                  2.46800000   -1.56030000   -1.73580000
 C                  0.23700000   -2.54230000   -1.59810000
 H                  0.54430000   -3.60500000   -1.57160000
 H                 -0.02180000   -2.33320000   -2.65800000
 C                 -2.51960000   -3.33750000   -1.62060000
 H                 -1.98050000   -4.26000000   -1.90210000
 C                 -2.91120000   -2.61820000   -2.89880000
 H                 -2.05570000   -2.42270000   -3.56000000
 H                 -3.39830000   -1.65580000   -2.68470000
 H                 -3.62930000   -3.22180000   -3.47410000
 C                 -3.75750000   -3.71160000   -0.81570000
 H                 -3.52720000   -4.23340000    0.12280000
 H                 -4.41060000   -4.37530000   -1.40200000
 H                 -4.35230000   -2.82510000   -0.55770000
 C                 -0.95480000   -3.64270000    0.76070000
 H                 -1.81710000   -3.55840000    1.44150000
 C                 -0.86360000   -5.08800000    0.28880000
 H                 -0.07970000   -5.23070000   -0.47020000
 H                 -1.80090000   -5.48410000   -0.12100000
 H                 -0.59040000   -5.73360000    1.13720000
 C                  0.29790000   -3.27200000    1.53720000
 H                  1.21270000   -3.42620000    0.94550000
 H                  0.38940000   -3.88360000    2.44770000
 H                  0.29950000   -2.22110000    1.84480000
 C                  3.30820000   -0.53410000    1.21670000
 C                  4.50520000   -1.20680000    1.41660000
 H                  5.22150000   -1.26390000    0.59250000
 C                  4.79040000   -1.80320000    2.64770000
 H                  5.73650000   -2.32610000    2.79850000
 C                  3.85540000   -1.70850000    3.67620000
 H                  4.06920000   -2.15620000    4.65030000
 C                  2.63850000   -1.05810000    3.48120000
 H                  1.91480000   -1.00940000    4.29770000
 C                  2.32060000   -0.47080000    2.24040000
 C                  0.02040000    0.02500000    2.87630000
 H                  0.16940000    0.70400000    3.73760000
 H                 -0.08860000   -0.98410000    3.32290000
 C                 -2.79790000   -0.26290000    3.30550000
 H                 -2.39900000    0.00190000    4.30200000
 C                 -2.85780000   -1.77630000    3.19300000
 H                 -3.25690000   -2.07370000    2.20940000
 H                 -3.52300000   -2.20160000    3.95960000
 H                 -1.87340000   -2.25200000    3.31450000
 C                 -4.19260000    0.32970000    3.14750000
 H                 -4.20720000    1.42780000    3.12950000
 H                 -4.84450000    0.01160000    3.97500000
 H                 -4.66730000   -0.01360000    2.21880000
 C                 -1.66460000    2.27870000    2.52890000
 H                 -2.53740000    2.67460000    1.98030000
 C                 -1.84330000    2.59070000    4.00890000
 H                 -1.03480000    2.15980000    4.61900000
 H                 -2.79470000    2.24050000    4.42750000
 H                 -1.80410000    3.67890000    4.17040000
 C                 -0.41260000    2.97280000    2.01100000
 H                  0.46820000    2.73450000    2.62550000
 H                 -0.52830000    4.06760000    2.02080000
 H                 -0.15650000    2.67390000    0.98740000
 C                  3.28400000    1.55360000   -0.06890000
 C                  4.45780000    2.07570000    0.45560000
 H                  5.16640000    1.39660000    0.93740000
 C                  4.72890000    3.44360000    0.37230000
 H                  5.65700000    3.84590000    0.78180000
 C                  3.80280000    4.27710000   -0.25080000
 H                  4.00650000    5.34730000   -0.34110000
 C                  2.60830000    3.76970000   -0.75840000
 H                  1.89750000    4.44530000   -1.23870000
 C                  2.30410000    2.39690000   -0.66220000
 C                  0.02130000    2.66520000   -1.46550000
 H                  0.12700000    3.00730000   -2.51350000
 H                 -0.04580000    3.58830000   -0.85610000
 C                 -2.68150000    3.30220000   -0.88210000
 H                 -2.13300000    3.70320000   -0.01010000
 C                 -2.69270000    4.38210000   -1.95440000
 H                 -1.68460000    4.65600000   -2.29710000
 H                 -3.16380000    5.30090000   -1.57340000
 H                 -3.27050000    4.07620000   -2.83900000
 C                 -4.08240000    2.94520000   -0.41200000
 H                 -4.68710000    2.47580000   -1.20110000
 H                 -4.62160000    3.84750000   -0.08560000
 H                 -4.06450000    2.24250000    0.43290000
 C                 -1.96150000    1.54750000   -3.13780000
 H                 -1.72060000    2.51260000   -3.61770000
 C                 -0.98070000    0.50430000   -3.65240000
 H                  0.06770000    0.75740000   -3.42760000
 H                 -1.06550000    0.38160000   -4.74270000
 H                 -1.18270000   -0.47510000   -3.19380000
 C                 -3.40300000    1.19370000   -3.45860000
 H                 -3.51280000    0.92040000   -4.51930000
 H                 -4.09220000    2.02750000   -3.26760000
 H                 -3.76040000    0.34030000   -2.86460000

110
2_[LSnFeN2]-
 Sn                 0.55840000    0.00000000   -0.00070000
 Fe                -1.87370000   -0.00010000    0.00010000
 P                 -1.52200000    1.53080000   -1.56260000
 P                 -1.52130000   -2.11950000   -0.54400000
 P                 -1.52030000    0.58900000    2.10700000
 N                  1.23510000    1.63360000   -1.15160000
 N                  1.23520000   -1.81260000   -0.84190000
 N                  1.23570000    0.17870000    1.98960000
 N                  3.07960000    0.00000000   -0.00080000
 N                 -3.66020000    0.00000000   -0.00030000
 N                 -4.79440000    0.00030000   -0.00110000
 C                  3.40040000    1.40420000   -0.16190000
 C                  4.59030000    1.95130000    0.29600000
 H                  5.29190000    1.30340000    0.82950000
 C                  4.88950000    3.30140000    0.08270000
 H                  5.83100000    3.72110000    0.44360000
 C                  3.97030000    4.09140000   -0.60570000
 H                  4.19230000    5.14600000   -0.79560000
 C                  2.75930000    3.56440000   -1.04990000
 H                  2.04760000    4.20600000   -1.57430000
 C                  2.42450000    2.21110000   -0.82030000
 C                  0.15600000    2.41930000   -1.68460000
 H                  0.33630000    2.67390000   -2.74760000
 H                  0.04650000    3.38970000   -1.15810000
 C                 -2.55100000    3.12100000   -1.63250000
 H                 -2.16530000    3.65960000   -0.74620000
 C                 -2.31850000    4.00660000   -2.84940000
 H                 -2.76890000    3.57440000   -3.75680000
 H                 -1.25560000    4.18710000   -3.06430000
 H                 -2.79090000    4.99280000   -2.70710000
 C                 -4.03950000    2.91180000   -1.41080000
 H                 -4.25580000    2.38390000   -0.47620000
 H                 -4.50790000    2.32670000   -2.21580000
 H                 -4.56300000    3.88170000   -1.37420000
 C                 -1.57600000    1.00580000   -3.37560000
 H                 -1.36890000    1.90980000   -3.97470000
 C                 -0.47120000    0.00040000   -3.64620000
 H                 -0.64540000   -0.91950000   -3.06870000
 H                  0.52820000    0.36770000   -3.36540000
 H                 -0.43680000   -0.28110000   -4.71110000
 C                 -2.93140000    0.44580000   -3.76190000
 H                 -3.71730000    1.21410000   -3.78760000
 H                 -3.24910000   -0.32020000   -3.03570000
 H                 -2.90670000   -0.02980000   -4.75650000
 C                  3.40110000   -0.84130000   -1.13620000
 C                  4.59170000   -0.71850000   -1.83780000
 H                  5.29340000    0.06690000   -1.54250000
 C                  4.89160000   -1.57790000   -2.90030000
 H                  5.83370000   -1.47550000   -3.44330000
 C                  3.97220000   -2.56860000   -3.24160000
 H                  4.19450000   -3.26000000   -4.06010000
 C                  2.76040000   -2.68950000   -2.56430000
 H                  2.04870000   -3.46390000   -2.85900000
 C                  2.42510000   -1.81440000   -1.50700000
 C                  0.15610000   -2.66670000   -1.25650000
 H                  0.33720000   -3.71520000   -0.94760000
 H                  0.04530000   -2.69370000   -2.36010000
 C                 -2.55320000   -2.97690000   -1.88260000
 H                 -2.17290000   -2.47740000   -2.79380000
 C                 -2.31750000   -4.47300000   -2.04250000
 H                 -2.76280000   -5.04400000   -1.21260000
 H                 -1.25420000   -4.74640000   -2.09610000
 H                 -2.79300000   -4.84380000   -2.96570000
 C                 -4.04210000   -2.68410000   -1.80500000
 H                 -4.56940000   -3.14260000   -2.65820000
 H                 -4.26180000   -1.61150000   -1.81890000
 H                 -4.50400000   -3.08570000   -0.89120000
 C                 -1.56840000   -3.42740000    0.81780000
 H                 -1.36000000   -4.39750000    0.33340000
 C                 -0.46130000   -3.15660000    1.82070000
 H                 -0.42450000   -3.93680000    2.59810000
 H                 -0.63430000   -2.19570000    2.32730000
 H                  0.53690000   -3.09750000    1.35960000
 C                 -2.92160000   -3.48770000    1.50020000
 H                 -3.70830000   -3.89450000    0.84880000
 H                 -3.24190000   -2.47830000    1.80610000
 H                 -2.89190000   -4.11460000    2.40690000
 C                  3.40130000   -0.56240000    1.29570000
 C                  4.59130000   -1.23250000    1.54020000
 H                  5.29270000   -1.37050000    0.71220000
 C                  4.89070000   -1.72300000    2.81590000
 H                  5.83220000   -2.24550000    2.99870000
 C                  3.97160000   -1.52200000    3.84450000
 H                  4.19380000   -1.88510000    4.85270000
 C                  2.76040000   -0.87410000    3.61040000
 H                  2.04870000   -0.74140000    4.42830000
 C                  2.42550000   -0.39630000    2.32370000
 C                  0.15700000    0.24650000    2.93700000
 H                  0.33810000    1.03830000    3.69040000
 H                  0.04670000   -0.69560000    3.51230000
 C                 -2.55140000   -0.14440000    3.51800000
 H                 -2.16820000   -1.18230000    3.54030000
 C                 -2.31840000    0.46420000    4.89450000
 H                 -2.76640000    1.46710000    4.97510000
 H                 -1.25550000    0.55700000    5.15910000
 H                 -2.79290000   -0.15210000    5.67620000
 C                 -4.03970000   -0.22800000    3.22410000
 H                 -4.25550000   -0.77420000    2.30000000
 H                 -4.50530000    0.76280000    3.11730000
 H                 -4.56610000   -0.74190000    4.04550000
 C                 -1.56840000    2.42190000    2.55980000
 H                 -1.36280000    2.48650000    3.64260000
 C                 -0.45950000    3.15610000    1.82760000
 H                 -0.62880000    3.11550000    0.74140000
 H                  0.53840000    2.72780000    2.00950000
 H                 -0.42430000    4.21930000    2.11540000
 C                 -2.92090000    3.04270000    2.26740000
 H                 -3.23730000    2.80300000    1.23920000
 H                 -2.89210000    4.14130000    2.35780000
 H                 -3.70970000    2.68080000    2.94220000

123
3_LSnFeN2SiMe3
 Sn                -1.15550000    0.00120000   -0.00100000
 Fe                 1.35700000    0.00870000    0.01010000
 P                  0.94200000   -1.78710000   -1.29330000
 P                  0.92080000   -0.22880000    2.21280000
 P                  0.92820000    2.03600000   -0.88720000
 Si                 5.92520000   -0.01340000   -0.02110000
 N                 -1.77630000   -1.35850000   -1.46170000
 N                 -1.79600000   -0.58600000    1.89960000
 N                 -1.79400000    1.93940000   -0.45050000
 N                 -3.63010000   -0.00830000   -0.01370000
 N                  3.02530000    0.01980000    0.01470000
 N                  4.21090000    0.03860000    0.02390000
 C                 -3.95220000   -0.36390000   -1.38360000
 C                 -5.14560000    0.00310000   -1.98970000
 H                 -5.85500000    0.61660000   -1.42760000
 C                 -5.43620000   -0.40460000   -3.29450000
 H                 -6.37940000   -0.11710000   -3.76260000
 C                 -4.51140000   -1.19130000   -3.97770000
 H                 -4.73090000   -1.53340000   -4.99250000
 C                 -3.29760000   -1.54460000   -3.39090000
 H                 -2.58380000   -2.15300000   -3.95040000
 C                 -2.97510000   -1.12050000   -2.08670000
 C                 -0.71140000   -2.01220000   -2.16300000
 H                 -0.58950000   -1.63650000   -3.19960000
 H                 -0.89860000   -3.09940000   -2.25950000
 C                  2.01930000   -2.04350000   -2.81350000
 H                  1.64810000   -1.24590000   -3.48380000
 C                  1.80490000   -3.37840000   -3.51560000
 H                  2.29680000   -3.37360000   -4.50030000
 H                  0.74720000   -3.61970000   -3.68670000
 H                  2.24780000   -4.21130000   -2.94930000
 C                  3.50060000   -1.78580000   -2.59600000
 H                  3.69880000   -0.76080000   -2.26600000
 H                  4.05460000   -1.94150000   -3.53520000
 H                  3.94420000   -2.45860000   -1.84710000
 C                  1.00460000   -3.47190000   -0.47770000
 H                  0.80080000   -4.19750000   -1.28340000
 C                 -0.11030000   -3.58810000    0.54660000
 H                  0.05640000   -2.89160000    1.38040000
 H                 -0.15120000   -4.60180000    0.97280000
 H                 -1.10490000   -3.36220000    0.13280000
 C                  2.36100000   -3.77610000    0.13090000
 H                  3.13530000   -3.95450000   -0.62830000
 H                  2.32080000   -4.67410000    0.76690000
 H                  2.70430000   -2.94110000    0.76190000
 C                 -3.96180000   -1.01710000    0.97580000
 C                 -5.15450000   -1.72610000    0.94780000
 H                 -5.85490000   -1.54690000    0.12750000
 C                 -5.45600000   -2.65190000    1.95030000
 H                 -6.39850000   -3.20160000    1.92520000
 C                 -4.54280000   -2.84890000    2.98390000
 H                 -4.77100000   -3.55640000    3.78540000
 C                 -3.32950000   -2.16340000    3.01000000
 H                 -2.62480000   -2.34280000    3.82480000
 C                 -2.99570000   -1.24660000    1.99370000
 C                 -0.74050000   -0.86440000    2.82820000
 H                 -0.62290000   -1.94930000    3.02680000
 H                 -0.93580000   -0.39980000    3.81430000
 C                  1.98640000   -1.42360000    3.20020000
 H                  1.61530000   -2.40010000    2.83710000
 C                  3.47110000   -1.36750000    2.88340000
 H                  3.91920000   -0.39090000    3.11870000
 H                  3.67830000   -1.57030000    1.82770000
 H                  4.01380000   -2.12060000    3.47640000
 C                  1.75750000   -1.36950000    4.70540000
 H                  2.19580000   -0.46400000    5.15110000
 H                  2.24510000   -2.22610000    5.19540000
 H                  0.69700000   -1.39870000    4.99010000
 C                  0.98030000    1.31810000    3.26590000
 H                  0.77010000    0.98290000    4.29580000
 C                 -0.13010000    2.26600000    2.84790000
 H                 -0.17240000    3.14250000    3.51200000
 H                 -1.12620000    1.79780000    2.85360000
 H                  0.04360000    2.63880000    1.82850000
 C                  2.33810000    1.99440000    3.23160000
 H                  2.29940000    2.99180000    3.69640000
 H                  2.68270000    2.12730000    2.19400000
 H                  3.11080000    1.42130000    3.76290000
 C                 -3.96770000    1.35240000    0.36180000
 C                 -5.16740000    1.68110000    0.97720000
 H                 -5.86990000    0.88020000    1.22360000
 C                 -5.47320000    3.01170000    1.27570000
 H                 -6.42130000    3.26350000    1.75430000
 C                 -4.55690000    4.00630000    0.94080000
 H                 -4.78810000    5.05380000    1.15140000
 C                 -3.33690000    3.68760000    0.34690000
 H                 -2.63030000    4.48380000    0.10340000
 C                 -2.99930000    2.34960000    0.06300000
 C                 -0.73690000    2.88390000   -0.66020000
 H                 -0.62870000    3.59630000    0.18300000
 H                 -0.92360000    3.50760000   -1.55600000
 C                  1.00710000    2.17280000   -2.75280000
 H                  0.79340000    3.23080000   -2.98130000
 C                 -0.09150000    1.32970000   -3.37610000
 H                 -1.09220000    1.55630000   -2.97740000
 H                  0.09240000    0.26120000   -3.19500000
 H                 -0.12900000    1.47310000   -4.46650000
 C                  2.37320000    1.81200000   -3.30670000
 H                  3.13820000    2.56550000   -3.07280000
 H                  2.34530000    1.71050000   -4.40280000
 H                  2.72120000    0.85090000   -2.89590000
 C                  1.98370000    3.49270000   -0.33630000
 H                  1.60270000    3.66470000    0.68750000
 C                  3.46940000    3.19960000   -0.21330000
 H                  4.00280000    4.09340000    0.14710000
 H                  3.92770000    2.91950000   -1.17310000
 H                  3.67770000    2.38820000    0.49140000
 C                  1.75590000    4.76850000   -1.13750000
 H                  2.23530000    5.62300000   -0.63600000
 H                  0.69550000    5.02500000   -1.26410000
 H                  2.20370000    4.70370000   -2.14050000
 C                  6.47970000    0.31950000   -1.76480000
 H                  6.02880000    1.23840000   -2.16620000
 H                  6.21750000   -0.50290000   -2.44420000
 H                  7.57210000    0.44460000   -1.80760000
 C                  6.47070000   -1.70260000    0.53260000
 H                  7.55890000   -1.81900000    0.41830000
 H                  5.99240000   -2.49570000   -0.06000000
 H                  6.23030000   -1.88630000    1.58880000
 C                  6.55560000    1.30110000    1.13200000
 H                  6.29820000    2.30990000    0.78050000
 H                  7.65130000    1.25390000    1.22040000
 H                  6.13940000    1.18580000    2.14300000