data_global
_chemical_name_mineral 'Chabazite-Na'
loop_
_publ_author_name
'Alberti A'
'Galli E'
'Vezzalini G'
'Passaglia E'
'Zanazzi P F'
_journal_name_full 'Zeolites'
_journal_volume 2 
_journal_year 1982
_journal_page_first 303
_journal_page_last 309
_publ_section_title
;
 Position of cations and water molecules in hydrated chabazite.
 Natural and Na-, Ca-, Sr- and K-exchanged chabazites
 Note: Na-exchanged
;
_database_code_amcsd 0017687
_chemical_compound_source 'Keller, Nidda, Germany'
_chemical_formula_sum 'Na3.16 (Al3.72 Si8.28) O33.68 H19.36'
_cell_length_a 9.425
_cell_length_b 9.425
_cell_length_c 9.425
_cell_angle_alpha 94.06
_cell_angle_beta 94.06
_cell_angle_gamma 94.06
_cell_volume 830.610
_exptl_crystal_density_diffrn      1.927
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-z,-y'
  '-z,-x,-y'
  'y,x,z'
  'y,z,x'
  '-z,-y,-x'
  '-x,-y,-z'
  'x,z,y'
  'z,x,y'
  '-y,-x,-z'
  '-y,-z,-x'
  'z,y,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Na1   0.20130   0.20130   0.20130   0.62000   0.04686
Na2   0.43100   0.43100   0.43100   0.21000   0.04053
Na3   0.57200   0.57200   0.22300   0.17000   0.08232
Na4   0.60200   0.50400   0.18500   0.04000   0.03926
Al1   0.10320   0.33110   0.87630   0.31000   0.01279
Si1   0.10320   0.33110   0.87630   0.69000   0.01279
O1   0.26400  -0.26400   0.00000   1.00000   0.03103
O2   0.14430  -0.14430   0.50000   1.00000   0.02900
O3   0.25460   0.25460   0.88730   1.00000   0.03166
O4   0.02500   0.02500   0.30780   1.00000   0.03052
Wat1   0.50000   0.50000   0.00000   0.90000   0.12412
Wat2   0.27700   0.27700   0.53900   0.17000   0.08359
Wat3   0.19700   0.30500   0.46900   0.22000   0.07346
Wat4   0.35400  -0.35400   0.50000   0.23000   0.16718
Wat5   0.62100   0.62100   0.38600   0.15000   0.05699
Wat6   0.25300   0.25300   0.25300   0.25000   0.05066
Wat7   0.36800   0.36800   0.19300   0.09000   0.08359