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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007578.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_9007578
_chemical_name 'Wittichenite'
loop_
_publ_author_name
'Kocman V'
'Nuffield E W'
_journal_name_full "Acta Crystallographica, Section B"
_journal_volume 29
_journal_year 1973
_journal_page_first 2528
_journal_page_last 2535
_publ_section_title
;
 The crystal structure of wittichenite, Cu3BiS3
 Locality: Daniel Mine, Wittichen, Baden, Germany
;
_chemical_formula_sum 'Cu3 Bi S3'
_cell_length_a 7.723
_cell_length_b 10.395
_cell_length_c 6.716
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 539.164
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-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
Cu1   0.35179   0.40167   0.13762   0.02660
Cu2   0.19037   0.10470   0.07838   0.03483
Cu3   0.05727   0.46445  -0.02628   0.02368
Bi   0.19716  -0.24401   0.12860   0.01570
S1  -0.44584   0.24619   0.10918   0.01672
S2  -0.31767   0.43669  -0.40779   0.01862
S3  -0.32136   0.06949  -0.41380   0.01887