#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2001852.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2001852
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 1993
_journal_volume C49
_journal_page_first 470
_journal_page_last 472
loop_
_publ_author_name
'Einstein, F.W.B.'
'Jones, C.H.W.'
'Riesen, A.'
'Sharma, R.D.'
_chemical_formula_moiety ?
_chemical_formula_sum 'C24 H66 Si6 Sn3 Te3'
_chemical_formula_weight 1262.2
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 1 21/c 1'
_symmetry_space_group_name_Hall '-P 2ybc'
_cell_length_a 18.392(3)
_cell_length_b 12.723(3)
_cell_length_c 22.183(3)
_cell_angle_alpha  90
_cell_angle_beta 107.86(2)
_cell_angle_gamma  90
_cell_volume 4941
_cell_formula_units_Z 4
_exptl_crystal_density_diffrn 1.698
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 2399
_exptl_absorpt_coefficient_mu 3.414
_diffrn_radiation_type Mo
_diffrn_radiation_wavelength 0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Te(1) .10908(9) .3760(2) .04931(9) .0779
Te(2) .34212(9) .5220(2) .09009(9) .0717
Te(3) .30231(9) .2587(2) .21450(8) .0720
Sn(1) .20013(9) .54070(10)
 .10461(8) .0627
Sn(2) .40688(8) .39150(10)
 .19022(8) .0612
Sn(3) .21605(9) .22160(10)
 .09224(8) .0636
Si(11) .1191(5) .5640(7) .2242(4) .0864
Si(12) .1593(4) .7272(6) -.0186(4) .0801
Si(21) .5182(4) .4221(7) .3453(4) .0799
Si(22) .5548(4) .3520(7) .1240(4) .0859
Si(31) .1276(4) .0283(7) .1590(4) .0807
Si(32) .2480(4) .1979(7) -.0535(4) .0812
C(11) .2101(14) .563(2)   .2018(12) .077(7)
C(12) .1458(14) .679(2)   .0545(12) .084(8)
C(21) .4494(15) .484(2)   .2755(12) .086(8)
C(22) .4917(14) .296(2)   .1685(12) .080(18)
C(31) .1507(16) .078(2)   .0897(13) .093(9)
C(32) .2901(14) .202(2)   .0347(12) .078(8)
C(111) .0353(13) .618(3)   .1640(12) .1224
C(112) .136(3)   .642(4)   .2965(18) .1717
C(113) .093(2)   .4279(13) .2360(18) .1388
C(121) .0860(14) .8292(19) -.0471(13) .1090
C(122) .2549(10) .784(3)   -.0026(17) .1298
C(123) .149(3)   .6209(19) -.0763(13) .1356
C(211) .4963(16) .2841(12) .3574(14) .1023
C(212) .6143(10) .426(4)   .3369(17) .1273
C(213) .5197(19) .499(2)   .4156(10) .1104
C(221) .5067(18) .340(3)   .0385(6) .1252
C(222) .5795(16) .4904(12) .1448(14) .1010
C(223) .6432(14) .274(3)   .1454(18) .1414
C(311) .0981(15) .1341(18) .2029(14) .1054
C(312) .0477(14) -.064(2)   .1288(17) .1176
C(313) .2093(13) -.039(4)   .214(2)   .1344
C(321) .1504(12) .145(4)   -.0793(14) .1244
C(322) .250(3)   .3307(17) -.0852(19) .1899
C(323) .3079(18) .113(3)   -.0853(16) .1487
H(1) .2349 .6288 .2143 ?
H(2) .2414 .5080 .2249 ?
H(3) .1605 .7349 .0839 ?
H(4) .0925 .6665 .0449 ?
H(5) .4736 .5447 .2652 ?
H(6) .4066 .5055 .2880 ?
H(7) .5248 .2710 .2079 ?
H(8) .4656 .2378 .1444 ?
H(9) .1784 .0230 .0773 ?
H(10) .1032 .0877 .0577 ?
H(11) .3254 .2585 .0445 ?
H(12) .3166 .1374 .0472 ?
H(13) -.0070 .6143 .1795 ?
H(14) .0455 .6876 .1553 ?
H(15) .0259 .5759 .1268 ?
H(16) .0911 .6425 .3076 ?
H(17) .1498 .7105 .2875 ?
H(18) .1764 .6100 .3280 ?
H(19) .0473 .4294 .2472 ?
H(20) .1328 .3977 .2686 ?
H(21) .0853 .3910 .1976 ?
H(22) .0891 .8592 -.0856 ?
H(23) .0929 .8841 -.0162 ?
H(24) .0362 .8000 -.0544 ?
H(25) .2614 .8091 -.0409 ?
H(26) .2607 .8409 .0265 ?
H(27) .2923 .7319 .0153 ?
H(28) .1574 .6515 -.1120 ?
H(29) .1874 .5716 -.0571 ?
H(30) .1005 .5941 -.0841 ?
H(31) .5334 .2561 .3938 ?
H(32) .4471 .2789 .3633 ?
H(33) .4961 .2428 .3214 ?
H(34) .6493 .3938 .3731 ?
H(35) .6287 .4970 .3341 ?
H(36) .6144 .3889 .3000 ?
H(37) .5547 .4687 .4521 ?
H(38) .5348 .5695 .4108 ?
H(39) .4700 .4997 .4204 ?
H(40) .5376 .3691 .0147 ?
H(41) .4957 .2687 .0262 ?
H(42) .4590 .3785 .0265 ?
H(43) .6115 .5188 .1221 ?
H(44) .6061 .4982 .1895 ?
H(45) .5344 .5339 .1357 ?
H(46) .6771 .2999 .1240 ?
H(47) .6682 .2782 .1902 ?
H(48) .6321 .2019 .1344 ?
H(49) .0863 .1071 .2388 ?
H(50) .1380 .1856 .2172 ?
H(51) .0537 .1697 .1762 ?
H(52) .0316 -.0949 .1616 ?
H(53) .0617 -.1220 .1054 ?
H(54) .0040 -.0306 .0993 ?
H(55) .1956 -.0631 .2502 ?
H(56) .2510 .0093 .2289 ?
H(57) .2246 -.0966 .1944 ?
H(58) .1305 .1436 -.1242 ?
H(59) .1174 .1867 -.0630 ?
H(60) .1498 .0742 -.0638 ?
H(61) .2287 .3216 -.1293 ?
H(62) .3014 .3477 -.0737 ?
H(63) .2212 .3706 -.0674 ?
H(64) .2875 .1102 -.1300 ?
H(65) .3583 .1410 -.0739 ?
H(66) .3093 .0444 -.0682 ?