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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9008291.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_9008291
_chemical_name 'Parapierrotite'
loop_
_publ_author_name
'Engel P'
_journal_name_full "Zeitschrift fur Kristallographie"
_journal_volume 151
_journal_year 1980
_journal_page_first 203
_journal_page_last 216
_publ_section_title
;
 Die kristallstruktur von synthetischem parapierrotit, TlSb5S8
 Locality: synthetic
;
_chemical_formula_sum 'Tl Sb5 S8'
_cell_length_a 8.098
_cell_length_b 19.415
_cell_length_c 9.059
_cell_angle_alpha 90
_cell_angle_beta 91.96
_cell_angle_gamma 90
_cell_volume 1423.447
_symmetry_space_group_name_H-M 'P 1 n 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Tl1   0.00000   0.44263   0.00000   0.03280
Tl2  -0.19450   0.05391   0.73560   0.02875
Sb1   0.08870   0.22720   0.29040   0.01672
Sb2   0.42810   0.35140   0.26160   0.01431
Sb3   0.02320   0.45410   0.44770   0.02242
Sb4  -0.25790   0.28760   0.54290   0.01279
Sb5   0.13060   0.21390   0.73280   0.01634
Sb6  -0.19600   0.26210   0.98460   0.01545
Sb7  -0.58300   0.37210   0.78660   0.01431
Sb8   0.49390   0.12710   0.46590   0.01431
Sb9   0.79500   0.04450   0.19860   0.01596
Sb10   0.43000   0.14930   0.02840   0.01836
S1   0.29210   0.27780   0.46340   0.01127
S2   0.24470   0.29170   0.08040   0.01229
S3   0.27390   0.10970   0.27320   0.00646
S4  -0.04120   0.16570   0.53340   0.01077
S5  -0.10730   0.34190   0.32910   0.01064
S6   0.26400   0.46070   0.28310   0.01393
S7  -0.04270   0.32250   0.73100   0.01165
S8  -0.39600   0.40130   0.58660   0.00950
S9  -0.00940   0.16030   0.94600   0.01165
S10  -0.40620   0.22510   0.80810   0.01558
S11  -0.35450   0.19720   0.19420   0.01305
S12  -0.40240   0.40260   0.99420   0.01874
S13  -0.69130   0.49420   0.78300   0.01393
S14   0.62990   0.01560   0.41380   0.01418
S15   0.35330   0.08170   0.68720   0.01368
S16   0.57440   0.03510   0.01050   0.01292