data_global
_amcsd_formula_title 'H12 Mg O9 S'
loop_
_publ_author_name
'Bats J'
'Fuess H'
'Elerman Y'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 42 
_journal_year 1986
_journal_page_first 552
_journal_page_last 557
_publ_section_title
;
 Deformation density in magnesium sulfite hexahydrate.
 _cod_database_code 1100081
;
_database_code_amcsd 0018256
_chemical_formula_sum 'Mg S O9 H12'
_cell_length_a 5.911
_cell_length_b 5.911
_cell_length_c 5.911
_cell_angle_alpha 96.25
_cell_angle_beta 96.25
_cell_angle_gamma 96.25
_cell_volume 202.553
_exptl_crystal_density_diffrn      1.742
_symmetry_space_group_name_H-M 'R 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'z,x,y'
  'y,z,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg1   0.00000   0.00000   0.00000
S1  -0.50281  -0.50281  -0.50281
O1  -0.25489  -0.48273  -0.55929
O2  -0.14488  -0.32975   0.04913
O3   0.12320   0.31789  -0.07641
H1  -0.19110  -0.36800   0.19760
H2  -0.27430  -0.40360  -0.06630
H3   0.05880   0.45500  -0.02460
H4   0.26830   0.36590  -0.13980