data_global
_chemical_name_mineral 'Kalsilite'
loop_
_publ_author_name
'Andou Y'
'Kawahara A'
_journal_name_full 'Mineralogical Journal'
_journal_volume 12 
_journal_year 1984
_journal_page_first 153
_journal_page_last 161
_publ_section_title
;
 The refinement of the structure of synthetic kalsilite
;
_database_code_amcsd 0014424
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'K Al Si O4'
_cell_length_a 5.151
_cell_length_b 5.151
_cell_length_c 8.690
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 199.679
_exptl_crystal_density_diffrn      2.631
_symmetry_space_group_name_H-M 'P 63'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x-y,x,1/2+z'
  '-y,x-y,z'
  '-x,-y,1/2+z'
  '-x+y,-x,z'
  'y,-x+y,1/2+z'
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
K   0.00000   0.00000   0.25000   1.00000   0.01583
Al   0.33333   0.66667   0.05400   1.00000   0.00937
Si   0.33333   0.66667   0.43600   1.00000   0.00570
O1   0.61000   0.00500   0.99300   1.00000   0.01773
O2   0.35000   0.71300   0.25200   0.33333   0.01267