data_global
_chemical_name_mineral 'Chabazite-Ca'
loop_
_publ_author_name
'Dent L S'
'Smith J V'
_journal_name_full 'Nature'
_journal_volume 181 
_journal_year 1958
_journal_page_first 1794
_journal_page_last 1796
_publ_section_title
;
 Crystal structure of chabazite, a molecular sieve
 Note: extra-framework cations not located
;
_database_code_amcsd 0017695
_chemical_formula_sum '(Al.32 Si.68) O2'
_cell_length_a 9.4
_cell_length_b 9.4
_cell_length_c 9.4
_cell_angle_alpha 94.3
_cell_angle_beta 94.3
_cell_angle_gamma 94.3
_cell_volume 823.197
_exptl_crystal_density_diffrn      1.446
_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
Al1   0.34000   0.11000  -0.12000   0.32000
Si1   0.34000   0.11000  -0.12000   0.68000
O1   0.27000  -0.27000   0.00000   1.00000
O2   0.17000  -0.17000   0.50000   1.00000
O3   0.25000   0.25000   0.90000   1.00000
O4   0.03000   0.03000   0.35000   1.00000