#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004425.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_9004425
_chemical_name 'Shomiokite-(Y)'
loop_
_publ_author_name
'Grice J D'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 34
_journal_year 1996
_journal_page_first 649
_journal_page_last 655
_publ_section_title
;
 The crystal structure of shomiokite-(Y)
;
_chemical_formula_sum 'Y Na3 C3 O12'
_cell_length_a 10.042
_cell_length_b 17.349
_cell_length_c 5.948
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1036.253
_symmetry_space_group_name_H-M 'P b n 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Y   0.32164   0.16175   0.00000
Na1   0.62620   0.04720   0.27820
Na2  -0.01550  -0.08100  -0.22270
Na3   0.36110   0.36270   0.28710
C1  -0.19500   0.19410   0.27400
C2   0.12100   0.07770  -0.23000
C3   0.55100   0.10160  -0.22200
O1  -0.11670   0.20330   0.45000
O2   0.23140   0.24640  -0.27100
O3  -0.20080   0.13110   0.17100
O4   0.09020   0.12640  -0.06400
O5   0.24740   0.06740  -0.26300
O6   0.03030   0.04600  -0.34400
O7   0.50020   0.06260  -0.05700
O8  -0.00440   0.33220   0.23400
O9   0.65370   0.07660  -0.32700
O10   0.19150   0.22650   0.29000
O11   0.48420   0.19490   0.29300
O12   0.27840   0.06480   0.28600