data_global
_chemical_name_mineral '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)
;
_database_code_amcsd 0005499
_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
_exptl_crystal_density_diffrn      2.474
_symmetry_space_group_name_H-M 'P b n 21'
loop_
_space_group_symop_operation_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
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Y 0.01150 0.01400 0.00750 0.00030 0.00050 0.00080
Na1 0.04160 0.03470 0.01110 -0.00260 -0.00140 0.00230
Na2 0.03710 0.03890 0.01250 -0.00090 -0.00140 -0.00470
Na3 0.02600 0.05120 0.01240 -0.00240 -0.00300 -0.00050
C1 0.01950 0.02830 0.00880 -0.00780 0.00270 -0.00250
C2 0.03820 0.01740 0.01430 -0.00560 -0.00680 0.00410
C3 0.02230 0.02960 0.00880 -0.00210 -0.00560 -0.00420
O1 0.03560 0.03110 0.01350 -0.00110 -0.01080 0.00450
O2 0.03250 0.03060 0.01070 -0.00670 -0.00360 -0.00260
O3 0.01820 0.02770 0.03400 -0.00230 0.00280 -0.00420
O4 0.02350 0.03090 0.02520 -0.00610 0.00780 -0.00330
O5 0.01570 0.04090 0.01300 0.00210 -0.00030 -0.00250
O6 0.02290 0.04180 0.01530 -0.00810 -0.00500 -0.00500
O7 0.01940 0.03610 0.01620 -0.00060 0.00320 0.01010
O8 0.02540 0.02820 0.00750 -0.00200 0.00570 -0.00850
O9 0.01760 0.03550 0.02360 0.00800 -0.00090 0.00030
O10 0.04160 0.04720 0.01340 0.01780 0.00430 -0.00110
O11 0.04100 0.06750 0.01040 -0.01320 -0.00260 -0.00700
O12 0.04630 0.03060 0.01660 0.00270 -0.00080 0.00740