#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9008071.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_9008071
_chemical_name 'Livingstonite'
loop_
_publ_author_name
'Niizeki N'
'Buerger M J'
_journal_name_full "Zeitschrift fur Kristallographie"
_journal_volume 109
_journal_year 1957
_journal_page_first 129
_journal_page_last 157
_publ_section_title
;
 The crystal structure of livingstonite, HgSb4S8
 Locality: Guerrido, Mexico
;
_chemical_formula_sum 'Hg Sb4 S8'
_cell_length_a 30.25
_cell_length_b 4
_cell_length_c 21.48
_cell_angle_alpha 90
_cell_angle_beta 104.20
_cell_angle_gamma 90
_cell_volume 2519.666
_symmetry_space_group_name_H-M 'A 1 2/a 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '-x,1/2-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
Hg1   0.00000   0.50000   0.00000   0.02001
Hg2   0.25000   0.00000   0.00000   0.02001
Sb1   0.12000   0.06300   0.07500   0.01381
Sb2   0.04200   0.09500   0.21400   0.01444
Sb3   0.13100   0.06400   0.42500   0.01191
Sb4   0.20800   0.07800   0.28700   0.00266
S1   0.06200   0.49300   0.09200   0.01343
S2   0.22900   0.02800   0.18000   0.00633
S3   0.17200   0.50600   0.03900   0.01532
S4   0.14900   0.52100   0.22200   0.00595
S5   0.18900   0.49400   0.40700   0.01216
S6   0.02200   0.02100   0.31800   0.00963
S7   0.07800   0.50700   0.46000   0.01127
S8   0.10200   0.48300   0.27700   0.00874