#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004080.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_9004080
_chemical_name 'Hauchecornite'
loop_
_publ_author_name
'Kocman V'
'Nuffield E W'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 12
_journal_year 1974
_journal_page_first 269
_journal_page_last 274
_publ_section_title
;
 The crystal structure of antimonian hauchecornite from Westphalia
 Locality: Westphalia
;
_chemical_formula_sum 'Bi1.3 Sb.7 Ni9 S8'
_cell_length_a 7.300
_cell_length_b 7.300
_cell_length_c 5.402
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 287.873
_symmetry_space_group_name_H-M 'P 4/m m m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x,-z'
  '-y,x,z'
  'x,-y,z'
  '-x,y,-z'
  'x,y,-z'
  '-x,-y,z'
  'y,x,z'
  '-y,-x,-z'
  '-y,x,-z'
  'y,-x,z'
  '-x,y,z'
  'x,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi   0.00000   0.00000   0.00000   1.00000
SbM   0.50000   0.50000   0.50000   0.70000
BiM   0.50000   0.50000   0.50000   0.30000
Ni1   0.00000   0.00000   0.50000   1.00000
Ni2   0.18076   0.50000   0.25249   1.00000
S1   0.31274   0.00000   0.50000   1.00000
S2   0.26961   0.26961   0.00000   1.00000