#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$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
loop_
_publ_author_name
'Koto K'
'Morimoto N'
_publ_section_title
;
 The crystal structure of anilite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              915
_journal_page_last               924
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'Cu7 S4'
_chemical_name_mineral           Anilite
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.89
_cell_length_b                   7.84
_cell_length_c                   11.01
_cell_volume                     681.052
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_U_iso_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