#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007514.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_9007514
_chemical_name 'Anilite'
loop_
_publ_author_name
'Koto K'
'Morimoto N'
_journal_name_full "Acta Crystallographica, Section B"
_journal_volume 26
_journal_year 1970
_journal_page_first 915
_journal_page_last 924
_publ_section_title
;
 The crystal structure of anilite
;
_chemical_formula_sum 'Cu7 S4'
_cell_length_a 7.89
_cell_length_b 7.84
_cell_length_c 11.01
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 681.052
_symmetry_space_group_name_H-M 'P n m a'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-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_Uiso_or_equiv
Cu1   0.48320   0.75000   0.09420   0.01191
Cu2   0.42580   0.25000   0.33350   0.00975
Cu3   0.47900   0.75000   0.35450   0.00937
Cu4   0.23710   0.43030   0.15530   0.01710
Cu5   0.17700   0.47670   0.41860   0.01925
S1   0.24600   0.25000   0.98730   0.00317
S2   0.78500   0.25000   0.98410   0.00519
S3   0.99880   0.99800   0.26110   0.00393