#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007551.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_9007551
_chemical_name 'Ni7S6'
loop_
_publ_author_name
'Fleet M E'
_journal_name_full "Acta Crystallographica, Section B"
_journal_volume 28
_journal_year 1972
_journal_page_first 1237
_journal_page_last 1241
_publ_section_title
;
 The crystal structure of alpha-Ni7S6
;
_chemical_formula_sum 'S4.86 Ni5.629'
_cell_length_a 3.274
_cell_length_b 16.157
_cell_length_c 11.359
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 600.869
_symmetry_space_group_name_H-M 'B m m b'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,y,1/2+z'
  'x,1/2+y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,1/2-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-x,y,z'
  '1/2-x,y,1/2+z'
  'x,-y,-z'
  '1/2+x,-y,1/2-z'
  'x,1/2-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-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_occupancy
S1   0.50000   0.25000   0.14180   1.00000
S2   0.00000   0.04500   0.12070   0.98500
S3   0.00000   0.15270   0.38580   0.94500
Ni1   0.50000   0.12770   0.21620   0.43600
Ni2   0.00000   0.17280   0.03990   0.91900
Ni3   0.00000   0.02890   0.31640   0.51800
Ni4   0.00000   0.03460   0.48050   0.45900
Ni5   0.50000   0.25000   0.34480   0.96500