data_global
_amcsd_formula_title 'Ba3 Fe2 O21 Ta6'
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 1001301
;
_database_code_amcsd 0015380
_chemical_formula_sum 'Ba3 Ta6 Fe2 O21'
_cell_length_a 9.116
_cell_length_b 9.116
_cell_length_c 11.93
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 858.578
_exptl_crystal_density_diffrn      7.525
_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   0.59100   0.00000   0.25000   1.00000
Ta1   0.24300   0.00000   0.09400   0.66670
Fe1   0.24300   0.00000   0.09400   0.33330
Ta2   0.33333   0.66667   0.00000   1.00000
O1   0.22600   0.00000   0.25000   1.00000
O2   0.78700   0.00000   0.08300   1.00000
O3   0.17200   0.49300   0.10800   1.00000