#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9008303.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_9008303
_chemical_name 'Rebulite'
loop_
_publ_author_name
'Balic-Zunic T'
'Scavnicar S'
'Engel P'
_journal_name_full "Zeitschrift fur Kristallographie"
_journal_volume 160
_journal_year 1982
_journal_page_first 109
_journal_page_last 125
_publ_section_title
;
 The crystal structure of rebulite, Tl5Sb5As8S22
 Locality: Allchar, Macedonia, Yugoslavia
;
_chemical_formula_sum 'Tl5 Sb4.45 As8.55 S22'
_cell_length_a 17.441
_cell_length_b 7.363
_cell_length_c 32.052
_cell_angle_alpha 90
_cell_angle_beta 105.03
_cell_angle_gamma 90
_cell_volume 3975.247
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tl1   0.30905   0.29870   0.45738   1.00000
Tl2   0.69251   0.14700   0.28730   1.00000
Tl3   0.12171   0.40110   0.06272   1.00000
Tl4   0.89889   0.32590   0.18642   1.00000
Tl5   0.47617   0.36550   0.11055   1.00000
Sb1   0.68960   0.32570   0.43188   1.00000
Sb2   0.30680   0.09790   0.31611   1.00000
Sb3   0.08520   0.18930   0.42811   1.00000
Sb4   0.92060   0.18840   0.32652   1.00000
Sb5   0.89930   0.45290   0.42510   0.45000
As5*   0.91380   0.44670   0.42120   0.55000
As1   0.29600   0.06910   0.16790   1.00000
As2   0.70200   0.34250   0.08600   1.00000
As3   0.87990   0.19500   0.04690   1.00000
As4   0.12340   0.19760   0.21180   1.00000
As5   0.53620   0.25250   0.48930   1.00000
As6   0.47270   0.17670   0.26090   1.00000
As7   0.48260   0.41590   0.36140   1.00000
As8   0.11620   0.36880   0.31610   1.00000
S1  -0.00650   0.46980   0.11700   1.00000
S2   0.18240  -0.01820   0.00790   1.00000
S3   0.81650   0.24000   0.38420   1.00000
S4   0.83140   0.47300   0.02340   1.00000
S5   0.19490   0.28500   0.16470   1.00000
S6   0.81660   0.44300   0.26110   1.00000
S7   0.80470   0.13400   0.09420   1.00000
S8   0.18290   0.41010   0.26340   1.00000
S9   0.19350   0.16410   0.35960   1.00000
S10   0.99370   0.24800   0.47150   1.00000
S11   0.98320   0.45220   0.36660   1.00000
S12   0.41310  -0.00900   0.04240   1.00000
S13   0.58840   0.24430   0.35590   1.00000
S14   0.38630   0.53500   0.02130   1.00000
S15   0.40560   0.25700   0.19220   1.00000
S16   0.59100   0.43790   0.22190   1.00000
S17   0.59320   0.16170   0.06080   1.00000
S18   0.41340   0.40840   0.28910   1.00000
S19   0.40830   0.19900   0.38540   1.00000
S20   0.01540   0.19310   0.27840   1.00000
S21   0.29310   0.14010   0.09740   1.00000
S22   0.69350   0.28360   0.15500   1.00000