data_global
_amcsd_formula_title 'H12 Mg O12 S2'
loop_
_publ_author_name
'Black W'
'Griffith E'
'Robertson B'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 31 
_journal_year 1975
_journal_page_first 615
_journal_page_last 617
_publ_section_title
;
 M S2 O6 (H2 O)6 (M = Mg, Ni, Zn)
 _cod_database_code 1100069
;
_database_code_amcsd 0018246
_chemical_formula_sum 'Mg S2 O12 H12'
_cell_length_a 6.819
_cell_length_b 6.747
_cell_length_c 6.506
_cell_angle_alpha 94.23
_cell_angle_beta 96.76
_cell_angle_gamma 101.72
_cell_volume 289.577
_exptl_crystal_density_diffrn      1.677
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg1   0.00000   0.00000   0.00000
S1   0.35970   0.54500   0.50140
O1   0.12850   0.29190  -0.04350
O2  -0.07020   0.09700   0.28320
O3   0.27390  -0.03650   0.14290
O4   0.22630   0.36930   0.56100
O5   0.40290   0.72130   0.65370
O6   0.30550   0.58880   0.29030
H1   0.17400   0.37200   0.04000
H2   0.16700   0.32000  -0.14100
H3  -0.15900   0.13800   0.29000
H4   0.00500   0.14900   0.35800
H5   0.29300  -0.12100   0.18100
H6   0.35300   0.04800   0.19000