#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/9/9009897.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_9009897
_chemical_name 'Sederholmite'
loop_
_publ_author_name
'Rost E'
'Vestersjo E'
_journal_name_full "Acta Chemica Scandinavica"
_journal_volume 22
_journal_year 1968
_journal_page_first 2118
_journal_page_last 2134
_publ_section_title
;
 On the system Ni-Se-Te
 Note: Phase F, sample 83
 Locality: synthetic
;
_chemical_formula_sum 'Ni.99 Se1.01'
_cell_length_a 3.661
_cell_length_b 3.661
_cell_length_c 5.356
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 62.169
_symmetry_space_group_name_H-M 'P 63/m m c'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x,-x+y,-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
  'x-y,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni   0.00000   0.00000   0.00000   0.99000
Se   0.00000   0.00000   0.00000   0.01000
Se   0.33333   0.66667   0.25000   1.00000