data_global
_amcsd_formula_title 'Fe.5Ni.5Sb3'
loop_
_publ_author_name
'Kjekshus A'
'Rakke T'
_journal_name_full 'Acta Chemica Scandinavica'
_journal_volume A28 
_journal_year 1974
_journal_page_first 99
_journal_page_last 103
_publ_section_title
;
 Compounds with the skutterudite type crystal structure.
 III. Structural data for arsenides and antimonides,
;
_database_code_amcsd 0017610
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Fe.5 Ni.5) Sb3'
_cell_length_a 9.0904
_cell_length_b 9.0904
_cell_length_c 9.0904
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 751.189
_exptl_crystal_density_diffrn      7.472
_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
Fe   0.25000   0.25000   0.25000   0.50000   0.00633
Ni   0.25000   0.25000   0.25000   0.50000   0.00633
Sb   0.00000   0.33500   0.15900   1.00000   0.00633