data_global
_amcsd_formula_title 'LiMnFeF6'
loop_
_publ_author_name
'Courbion G'
'Jacoboni C'
'de Pape R'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 45 
_journal_year 1982
_journal_page_first 127
_journal_page_last 134
_publ_section_title
;
 The Dimorphism of LiMnFeF6: A New Kind of Cationic Order in the
 Structural Type Na2SiF6
 _cod_database_code 1000184
;
_database_code_amcsd 0013495
_chemical_formula_sum 'Li Mn Fe F6'
_cell_length_a 8.684
_cell_length_b 8.684
_cell_length_c 4.657
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 304.142
_exptl_crystal_density_diffrn      3.795
_symmetry_space_group_name_H-M 'P 3 2 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,x,-z'
  '-y,x-y,z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Li1   0.00000   0.00000   0.00000
Li2   0.33333   0.66667   0.50550
Mn1   0.35450   0.00000   0.00000
Fe1   0.68750   0.00000   0.50000
F1   0.53110   0.42350   0.27090
F2   0.22140   0.43740   0.27690
F3   0.22150   0.11300   0.24350
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Mn1 0.00740 0.00830 0.00680 0.00410 0.00020 0.00040
Fe1 0.00610 0.00560 0.00670 0.00280 0.00010 0.00020
F1 0.00930 0.01150 0.01100 0.00500 0.00350 0.00410
F2 0.01150 0.00980 0.01120 0.00600 -0.00390 -0.00050
F3 0.01110 0.01000 0.01060 0.00550 -0.00130 -0.00410