data_global
_chemical_name_mineral 'Leonite'
loop_
_publ_author_name
'Hertweck B'
'Giester G'
'Libowitzky E'
_journal_name_full 'American Mineralogist'
_journal_volume 86 
_journal_year 2001
_journal_page_first 1282
_journal_page_last 1292
_publ_section_title
;
 The crystal structures of the low-temperature phases of leonite-type compounds,
 K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe)
 Sample: K2Mg(SO4)2.4H2O, T = 100 K
;
_database_code_amcsd 0002727
_chemical_formula_sum 'K2 Mg S2 O12 H8'
_cell_length_a 11.778
_cell_length_b 9.469
_cell_length_c 9.851
_cell_angle_alpha 90
_cell_angle_beta 95.26
_cell_angle_gamma 90
_cell_volume 1094.015
_exptl_crystal_density_diffrn      2.226
_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
K1   0.16666   0.26914   0.23925   0.00850
K2   0.16772  -0.25681   0.25944   0.00810
Mg1   0.00000   0.00000   0.00000   0.00570
Mg2   0.00000   0.50000   0.50000   0.00530
S1   0.20787   0.50544  -0.04393   0.00500
S2   0.21302  -0.00636  -0.48126   0.00480
O1A  -0.15500   0.37040   0.11720   0.00870
O1B   0.16270   0.37400  -0.11160   0.00940
O2A   0.14950   0.09190  -0.39930   0.00880
O2B   0.18030  -0.15320  -0.45470   0.00970
O3   0.16850   0.01140   0.05550   0.01160
O4   0.18270   0.50790   0.09810   0.01150
O5   0.16360   0.51100   0.43770   0.00750
O6   0.19010   0.02370   0.37230   0.00990
Ow1A  -0.03530   0.33980   0.35980   0.00790
Ow1B   0.04510   0.34240  -0.35830   0.00810
Ow2  -0.00530   0.21900  -0.01180   0.01130
Ow3   0.01530  -0.01030  -0.20960   0.01120
H1A  -0.07500   0.27600   0.39500   0.02200
H2A  -0.07700   0.35500   0.28200   0.03200
H1B   0.07600   0.26900  -0.38700   0.02000
H2B   0.08300   0.35900  -0.28100   0.03800
H3A  -0.05200   0.27000   0.02300   0.03000
H3B   0.04500   0.27000  -0.03600   0.03300
H4   0.06800   0.00800  -0.25700   0.02100
H5  -0.04200  -0.01200  -0.26500   0.01900