data_global
_amcsd_formula_title 'F6 Fe2 Li'
loop_
_publ_author_name
'Portier J'
'Tressaud A'
'de Pape R'
'Hagenmueller P'
_journal_name_full 'Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences'
_journal_volume 267 
_journal_year 1968
_journal_page_first 1711
_journal_page_last 1713
_publ_section_title
;
 Etude cristallographique et magnetique d'un fluorure inedit de type trirutile
 _cod_database_code 1000178
;
_database_code_amcsd 0012276
_chemical_formula_sum 'Li Fe2 F6'
_cell_length_a 4.673
_cell_length_b 4.673
_cell_length_c 9.29
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 202.865
_exptl_crystal_density_diffrn      3.808
_symmetry_space_group_name_H-M 'P 42/m n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,x,-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  'y,x,z'
  '-y,-x,-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+y,1/2-x,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-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
Li1   0.00000   0.00000   0.00000   1.00000
Fe1   0.00000   0.00000   0.33330   0.50000
Fe2   0.00000   0.00000   0.33330   0.50000
F1   0.30500   0.30500   0.00000   1.00000
F2   0.30500   0.30500   0.33300   1.00000