data_global
_amcsd_formula_title 'K3 Nb7 O21 Ti'
loop_
_publ_author_name
'Groult D'
'Chailleux J'
'Choisnet J'
'Raveau B'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 19 
_journal_year 1976
_journal_page_first 235
_journal_page_last 244
_publ_section_title
;
 Sur une nouvelle famille d'oxydes ternaires de niobium, A3 M8 O21
 a structure en cages
 _cod_database_code 1001028
;
_database_code_amcsd 0013336
_chemical_formula_sum 'K3 (Nb7 Ti) O21'
_cell_length_a 9.107
_cell_length_b 9.107
_cell_length_c 12.011
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 862.701
_exptl_crystal_density_diffrn      4.433
_symmetry_space_group_name_H-M 'P 63/m c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,z'
  'x,x-y,-z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  '-y,-x,1/2+z'
  'y,x,1/2-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,z'
  '-x+y,y,-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x,x-y,1/2+z'
  '-x,-x+y,1/2-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,z'
  '-y,-x,-z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+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
_atom_site_occupancy
K1   0.59000   0.00000   0.25000   1.00000
Nb1   0.24800   0.00000   0.09600   0.87500
Ti1   0.24800   0.00000   0.09600   0.12500
Nb2   0.33333   0.66667   0.00000   0.87500
Ti2   0.33333   0.66667   0.00000   0.12500
O1   0.22600   0.00000   0.25000   1.00000
O2   0.79400   0.00000   0.08500   1.00000
O3   0.17100   0.49500   0.09300   1.00000