data_global
_amcsd_formula_title 'TlNb3.09O8.22'
loop_
_publ_author_name
'Gasperin M'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 33 
_journal_year 1977
_journal_page_first 2306
_journal_page_last 2308
_publ_section_title
;
 Un niobate de thallium de type 'bronze hexagonal' excedentaire en cations
 _cod_database_code 1001010
;
_database_code_amcsd 0009597
_chemical_formula_sum 'Tl Nb3.09 O8.222'
_cell_length_a 7.551
_cell_length_b 13.005
_cell_length_c 7.734
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 759.485
_exptl_crystal_density_diffrn      5.449
_symmetry_space_group_name_H-M 'C 2 2 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tl1   0.06660   0.00540   0.26250   0.16000
Tl2   0.02800  -0.02570   0.25990   0.24000
Tl3   0.03030   0.03400   0.22330   0.10000
Nb1   0.50340   0.00000   0.00000   1.00000
Nb2   0.24970   0.24810   0.00090   1.00000
Nb3   0.00000   0.34280   0.25000   0.09000
O1   0.00000   0.53150   0.25000   0.40600
O2   0.79360   0.22000   0.25180   0.90800
O3   0.49760   0.28450   0.05260   1.00000
O4   0.18020   0.39520   0.03410   1.00000
O5   0.18880   0.39510   0.45450   1.00000