#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000782.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_9000782
_chemical_name 'Peretaite'
loop_
_publ_author_name
'Menchetti S'
'Sabelli C'
_journal_name_full "American Mineralogist"
_journal_volume 65
_journal_year 1980
_journal_page_first 940
_journal_page_last 946
_publ_section_title
;
 Peretaite, CaSb4O4(OH)2(SO4)2*2H2O: Its atomic arrangement and twinning
;
_chemical_formula_sum 'Sb4 Ca S2 O16 H6'
_cell_length_a 24.665
_cell_length_b 5.6006
_cell_length_c 10.185
_cell_angle_alpha 90
_cell_angle_beta 95.98
_cell_angle_gamma 90
_cell_volume 1399.288
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-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_Uiso_or_equiv
Sb1   0.29249   0.50504   0.51525 ?
Sb2   0.31537   0.05196   0.26706 ?
Ca   0.50000   0.18560   0.25000 ?
S   0.42010  -0.01630   0.51840 ?
O1   0.36000   0.00490   0.52760 ?
O2   0.42960   0.04630   0.38290 ?
O3   0.45110   0.13910   0.61590 ?
O4   0.43780  -0.26350   0.54870 ?
O5   0.44460   0.52060   0.30430 ?
O6   0.26090   0.17780   0.38710 ?
O7   0.26250   0.17870   0.11460 ?
O8   0.33940   0.38600   0.26670 ?
H1   0.45000   0.60000   0.21000   0.05066
H2   0.45000   0.66000   0.38000   0.05066
H3   0.38200   0.42000   0.28500   0.05066