data_global
_chemical_name_mineral 'Brannockite'
loop_
_publ_author_name
'Armbruster T'
'Oberhansli R'
_journal_name_full 'American Mineralogist'
_journal_volume 73 
_journal_year 1988
_journal_page_first 595
_journal_page_last 600
_publ_section_title
;
 Crystal chemistry of double-ring silicates: Structures of sugilite and
 brannockite
 Sample: small domain
;
_database_code_amcsd 0001159
_chemical_formula_sum 'K Sn2 Li3 Si12 O30'
_cell_length_a 10.002
_cell_length_b 10.002
_cell_length_c 14.263
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1235.706
_exptl_crystal_density_diffrn      2.995
_symmetry_space_group_name_H-M 'P 6/m c c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,-z'
  'x-y,x,z'
  '-y,-x,1/2+z'
  'y,x,1/2-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  'x,x-y,1/2+z'
  '-x,-x+y,1/2-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,-z'
  'y,-x+y,z'
  '-x+y,y,1/2+z'
  'x-y,-y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K   0.00000   0.00000   0.25000
Sn   0.33333   0.66667   0.25000
Li   0.50000   0.50000   0.25000
Si   0.23840   0.35640   0.39050
O1   0.13130   0.39710   0.00000
O2   0.22340   0.28000   0.13510
O3   0.15920   0.50400   0.17330
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
K 0.01700 0.01700 0.02100 0.00850 0.00000 0.00000
Sn 0.00390 0.00390 0.00900 0.00195 0.00000 0.00000
Li 0.01400 0.01400 0.01500 0.00700 0.00000 0.00000
Si 0.00330 0.00360 0.00580 0.00170 0.00060 0.00070
O1 0.02000 0.02000 0.00800 0.00800 0.00000 0.00000
O2 0.00700 0.01100 0.01600 0.00700 0.00000 -0.00100
O3 0.00500 0.00500 0.00800 0.00100 -0.00100 -0.00200