data_global
_chemical_name_mineral 'Carnallite'
loop_
_publ_author_name
'Fischer W'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 1973 
_journal_year 1973
_journal_page_first 100
_journal_page_last 109
_publ_section_title
;
 Die kristallstruktur des carnallits KMgCl3*6H2O
;
_database_code_amcsd 0014748
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'K Mg Cl3 (O6 H12)'
_cell_length_a 9.598
_cell_length_b 16.1410
_cell_length_c 22.519
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 3488.673
_exptl_crystal_density_diffrn      1.587
_symmetry_space_group_name_H-M 'P b n n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+x,-y,1/2+z'
  '1/2-x,y,1/2-z'
  '-x,1/2+y,z'
  '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   0.24890   0.25000   0.00000   0.04306
K2   0.75020   0.08860   0.15670   0.04104
Mg1   0.25000   0.25620   0.25000   0.02406
Mg2   0.74770   0.42090   0.09010   0.02368
Cl1   0.75000   0.23920   0.25000   0.03420
Cl2  -0.01450   0.16610   0.07540   0.03584
Cl3   0.48780   0.16900   0.08110   0.03698
Cl4   0.25230   0.41440   0.08190   0.03825
Cl5  -0.02300   0.02010   0.24940   0.03698
Wat11   0.25000   0.12990   0.25000   0.04724
Wat12   0.25000   0.38390   0.25000   0.04142
Wat13   0.43960   0.25480   0.20670   0.03724
Wat14   0.15200   0.26830   0.16880   0.04458
Wat21   0.64950   0.44690   0.00950   0.04357
Wat22   0.73460   0.29650   0.07130   0.04483
Wat23   0.93760   0.42630   0.04670   0.03977
Wat24   0.84270   0.39440   0.17010   0.04623
Wat25   0.76300   0.54570   0.10750   0.04015
Wat26   0.55610   0.41830   0.13160   0.04458