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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004130.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_9004130
_chemical_name 'Cernyite'
loop_
_publ_author_name
'Szymanski J T'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 16
_journal_year 1978
_journal_page_first 147
_journal_page_last 151
_publ_section_title
;
 The crystal structure of cernyite, Cu2CdSnS4, a cadmium analogue of stannite
 Note: z-coordinate for S atom changed in order to reproduce bond lengths.
;
_chemical_formula_sum '(Cd.37 Zn.33 Fe.29 Mn.01) Sn Cu2 S4'
_cell_length_a 5.487
_cell_length_b 5.487
_cell_length_c 10.848
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 326.603
_symmetry_space_group_name_H-M 'I -4 2 m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'y,x,z'
  '1/2+y,1/2+x,1/2+z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd   0.00000   0.00000   0.00000   0.37000
Zn   0.00000   0.00000   0.00000   0.33000
Fe   0.00000   0.00000   0.00000   0.29000
Mn   0.00000   0.00000   0.00000   0.01000
Sn   0.50000   0.50000   0.00000   1.00000
Cu   0.00000   0.50000   0.25000   1.00000
S   0.75000   0.75000   0.86840   1.00000