#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/9/9007722.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_9007722
_chemical_name 'Godlevskite'
loop_
_publ_author_name
'Fleet M E'
_journal_name_full "Acta Crystallographica, Section C"
_journal_volume 43
_journal_year 1987
_journal_page_first 2255
_journal_page_last 2257
_publ_section_title
;
 Structure of godlevskite, Ni9S8
;
_chemical_formula_sum 'Ni17.439 Fe.561 S16'
_cell_length_a 9.3359
_cell_length_b 11.2185
_cell_length_c 9.4300
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 987.649
_symmetry_space_group_name_H-M 'C 2 2 2'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  '-x,-y,z'
  '1/2-x,1/2-y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Nil   0.22010   0.00000   0.00000   0.96700   0.00659
Fel   0.22010   0.00000   0.00000   0.03300   0.00659
Ni2   0.00000   0.50000   0.00000   0.96700   0.00557
Fe2   0.00000   0.50000   0.00000   0.03300   0.00557
Ni3   0.00000   0.00000   0.21521   0.96700   0.00684
Fe3   0.00000   0.00000   0.21521   0.03300   0.00684
Ni4   0.25000   0.25000   0.27187   0.96700   0.00646
Fe4   0.25000   0.25000   0.27187   0.03300   0.00646
Ni5   0.00000   0.23652   0.50000   0.96700   0.00963
Fe5   0.00000   0.23652   0.50000   0.03300   0.00963
Ni6   0.00000   0.00000   0.50000   0.96700   0.00937
Ni6   0.00000   0.00000   0.50000   0.03300   0.00937
Ni7   0.37369   0.68414   0.12145   0.96700   0.00608
Fe7   0.37369   0.68414   0.12145   0.03300   0.00608
Ni8   0.12569   0.58779   0.37368   0.96700   0.00646
Fe8   0.12569   0.58779   0.37368   0.03300   0.00646
S1   0.13268   0.61610   0.13483   1.00000   0.00646
S2   0.36724   0.61693   0.36158   1.00000   0.00671
S3   0.38213   0.34835   0.11982   1.00000   0.00709
S4   0.11977   0.38020   0.38590   1.00000   0.00760