data_global
_chemical_name_mineral 'Kieftite'
loop_
_publ_author_name
'He T'
'Chen J'
'Rosenfeld H D'
'Subramanian M A'
_journal_name_full 'Chemistry of Materials'
_journal_volume 18 
_journal_year 2006
_journal_page_first 759
_journal_page_last 762
_publ_section_title
;
 Thermoelectric properties of indium-filled skutterudites
;
_database_code_amcsd 0017605
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Co4 Sb12 In.2'
_cell_length_a 9.05294
_cell_length_b 9.05294
_cell_length_c 9.05294
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 741.940
_exptl_crystal_density_diffrn      7.698
_symmetry_space_group_name_H-M 'I m 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'z,x,-y'
  '1/2+z,1/2+x,1/2-y'
  'z,-x,y'
  '1/2+z,1/2-x,1/2+y'
  '-z,x,y'
  '1/2-z,1/2+x,1/2+y'
  '-z,-x,-y'
  '1/2-z,1/2-x,1/2-y'
  'y,-z,-x'
  '1/2+y,1/2-z,1/2-x'
  '-y,-z,x'
  '1/2-y,1/2-z,1/2+x'
  '-y,z,-x'
  '1/2-y,1/2+z,1/2-x'
  'y,z,x'
  '1/2+y,1/2+z,1/2+x'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
  '-z,-x,y'
  '1/2-z,1/2-x,1/2+y'
  '-z,x,-y'
  '1/2-z,1/2+x,1/2-y'
  'z,-x,-y'
  '1/2+z,1/2-x,1/2-y'
  'z,x,y'
  '1/2+z,1/2+x,1/2+y'
  '-y,z,x'
  '1/2-y,1/2+z,1/2+x'
  'y,z,-x'
  '1/2+y,1/2+z,1/2-x'
  'y,-z,x'
  '1/2+y,1/2-z,1/2+x'
  '-y,-z,-x'
  '1/2-y,1/2-z,1/2-x'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,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
_atom_site_U_iso_or_equiv
Co   0.25000   0.25000   0.25000   1.00000   0.00350
Sb   0.00000   0.33557   0.15823   1.00000   0.00540
In   0.00000   0.00000   0.00000   0.20000   0.03600