data_global
_chemical_name_mineral 'Picromerite'
loop_
_publ_author_name
'Kannan K K'
'Viswamitra M A'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 122 
_journal_year 1965
_journal_page_first 161
_journal_page_last 174
_publ_section_title
;
 Crystal structure of magnesium potassium sulfate hexahydrate MgK2(SO4)2*6(H2O)
;
_database_code_amcsd 0010626
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg K2 S2 O14 H12'
_cell_length_a 9.072
_cell_length_b 12.212
_cell_length_c 6.113
_cell_angle_alpha 90
_cell_angle_beta 104.83
_cell_angle_gamma 90
_cell_volume 654.683
_exptl_crystal_density_diffrn      2.043
_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
Mg   0.00000   0.00000   0.00000   0.01216
K   0.13100   0.34600   0.34500   0.01634
S   0.41000   0.13700  -0.27100   0.00988
O1   0.28500   0.06000  -0.37900   0.01849
O2   0.40300   0.23200  -0.43100   0.01849
O3   0.38800   0.17300  -0.05500   0.01849
O4   0.55300   0.08000  -0.24200   0.01849
O5   0.17200   0.11100   0.16900   0.01849
O6  -0.16900   0.11300   0.02600   0.01849
O7   0.00400   0.06600  -0.30700   0.01849
H1   0.24300   0.12700   0.10200   0.01912
H2   0.21400   0.09500   0.32700   0.01912
H3   0.13900  -0.17600  -0.02000   0.01912
H4   0.27000  -0.09400   0.06300   0.01912
H5   0.01300  -0.15000   0.32100   0.01912
H6   0.10400   0.06000  -0.33500   0.01912