data_global
_chemical_name_mineral 'Blodite'
loop_
_publ_author_name
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 23 
_journal_year 1985
_journal_page_first 669
_journal_page_last 674
_publ_section_title
;
 Refinement of the crystal structure of bloedite: Structural similarities
 in the [M(T_4)2_n] finite-cluster minerals
;
_database_code_amcsd 0005208
_chemical_formula_sum 'Na2 Mg S2 O12 H8'
_cell_length_a 11.126
_cell_length_b 8.242
_cell_length_c 5.539
_cell_angle_alpha 90
_cell_angle_beta 100.84
_cell_angle_gamma 90
_cell_volume 498.866
_exptl_crystal_density_diffrn      2.227
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na   0.36178   0.07050   0.13050 ?
Mg   0.00000   0.00000   0.00000 ?
S   0.13640   0.29075   0.36935 ?
O1   0.26630   0.27120   0.34760 ?
O2   0.08020   0.42140   0.20910 ?
O3   0.07040   0.13720   0.30580 ?
O4   0.13210   0.32830   0.62970 ?
O5   0.16030   0.03780   0.87270 ?
O6   0.08090   0.79080   0.17740 ?
H5A   0.15300   0.11900   0.80200   1.00000
H5B  -0.17500   0.03400   0.21500   1.00000
H6A   0.46600   0.22600   0.75500   1.00000
H6B  -0.13700   0.20200  -0.27600   1.00000
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
Na 0.01770 0.01960 0.02210 0.00150 0.00180 -0.00080
Mg 0.01060 0.01000 0.01140 -0.00130 0.00210 -0.00050
S 0.01080 0.01070 0.00960 -0.00090 0.00110 0.00040
O1 0.01140 0.02140 0.02630 0.00150 0.00470 0.00210
O2 0.01730 0.02000 0.02250 0.00410 0.00140 0.01060
O3 0.02430 0.01720 0.01480 -0.01040 0.00230 -0.00400
O4 0.03120 0.01650 0.01160 -0.00350 0.00520 -0.00420
O5 0.01580 0.01420 0.01540 0.00040 0.00610 0.00070
O6 0.01610 0.01490 0.01790 -0.00150 -0.00430 0.00290