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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009543.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_9009543
_chemical_name 'Zirsinalite'
loop_
_publ_author_name
'Pudovkina Z V'
'Chernitsova N M'
'Voronkov A A'
'Pyatenko Yu A'
_journal_name_full "Doklady Akademii Nauk SSSR"
_journal_volume 250
_journal_year 1980
_journal_page_first 865
_journal_page_last 867
_publ_section_title
;
 Crystal structure of zirsinalite Na6Ca{Zr(Si6O18)}
 Locality: Koashva Mountain, Khibiny Massif, Kola Peninsula, Russia
;
_chemical_formula_sum 'Na6 Ca Zr Si6 O18'
_cell_length_a 10.593
_cell_length_b 10.593
_cell_length_c 10.593
_cell_angle_alpha 58.13
_cell_angle_beta 58.13
_cell_angle_gamma 58.13
_cell_volume 804.479
_symmetry_space_group_name_H-M 'R -3 c'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2-z,1/2-y'
  '-z,-x,-y'
  '1/2+y,1/2+x,1/2+z'
  'y,z,x'
  '1/2-z,1/2-y,1/2-x'
  '-x,-y,-z'
  '1/2+x,1/2+z,1/2+y'
  'z,x,y'
  '1/2-y,1/2-x,1/2-z'
  '-y,-z,-x'
  '1/2+z,1/2+y,1/2+x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Na1   0.50000   0.00000   0.00000   1.00000   0.01545
Na2   0.74300   0.75700   0.25000   1.00000   0.01456
Ca   0.37670   0.37670   0.37670   0.50000   0.01469
Zr   0.00000   0.00000   0.00000   1.00000   0.01178
Si   0.13070   0.13460   0.58530   1.00000   0.01178
O1   0.25500   0.29600   0.93800   1.00000   0.01659
O2   0.95000   0.23400   0.96800   1.00000   0.01684
O3   0.01300   0.48700   0.25000   1.00000   0.04192
O4   0.51800   0.98200   0.25000   1.00000   0.01570