data_global
_amcsd_formula_title 'Ba3 O21 Ta4 Ti4'
loop_
_publ_author_name
'Groult D'
'Chailleux J'
'Raveau B'
'Deschanvres A'
_journal_name_full 'Revue de Chimie Minerale'
_journal_volume 14 
_journal_year 1977
_journal_page_first 1
_journal_page_last 10
_publ_section_title
;
 Nouveaux tantalates A3 (Ta8-x Mx) O21 a structure en cages
 _cod_database_code 1001300
;
_database_code_amcsd 0015379
_chemical_formula_sum 'Ba3 Ta4 Ti4 O21'
_cell_length_a 9.024
_cell_length_b 9.024
_cell_length_c 11.79
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 831.462
_exptl_crystal_density_diffrn      6.643
_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
Ba1   0.59360   0.00000   0.25000   1.00000
Ta1   0.24300   0.00000   0.09370   0.33330
Ti1   0.24300   0.00000   0.09370   0.66670
Ta2   0.33333   0.66667   0.00000   1.00000
O1   0.18700   0.00000   0.25000   1.00000
O2   0.81600   0.00000   0.08530   1.00000
O3   0.16900   0.49100   0.09700   1.00000