#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000737.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_9000737
_chemical_name 'Versiliaite'
loop_
_publ_author_name
'Mellini M'
'Merlino S'
_journal_name_full "American Mineralogist"
_journal_volume 64
_journal_year 1979
_journal_page_first 1235
_journal_page_last 1242
_publ_section_title
;
 Versiliaite and apuanite: Derivative structures related to schafarzikite
;
_chemical_formula_sum 'Fe5 Sb5.9 Zn.5 As.6 S.8 O16'
_cell_length_a 8.492
_cell_length_b 8.326
_cell_length_c 11.938
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 844.069
_symmetry_space_group_name_H-M 'P b a m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-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
Fe(1)   0.30840   0.31930   0.00000   0.75000
Sb(1)   0.30840   0.31930   0.00000   0.25000
Fe(2)   0.00000   0.50000   0.37520   1.00000
Fe(3)   0.00000   0.50000   0.12390   0.75000
Zn(3)   0.00000   0.50000   0.12390   0.25000
Sb(1)   0.17110   0.16710   0.24500   0.90000
As(1)   0.17110   0.16710   0.24500   0.10000
Sb(2)   0.33030   0.32920   0.50000   0.90000
As(2)   0.33030   0.32920   0.50000   0.10000
S   0.50000   0.50000   0.00000   0.80000
O(1)   0.36100   0.09930   0.50000   1.00000
O(2)   0.40030   0.13600   0.24380   1.00000
O(3)   0.32340   0.81760   0.37640   1.00000
O(4)   0.18550   0.34280   0.13570   1.00000
O(5)   0.60700   0.89150   0.00000   1.00000