data_global
_amcsd_formula_title 'Li1.6 O8 Sn2.1 Ti0.7 Zn1.6'
loop_
_publ_author_name
'Choisnet J'
'Raveau B'
_journal_name_full 'Materials Research Bulletin'
_journal_volume 14 
_journal_year 1979
_journal_page_first 1381
_journal_page_last 1389
_publ_section_title
;
 Une nouvelle structure hexagonale compacte ordonne: les oxydes
 (Sn - x3)octa (M - Li)tetra O8 avec X = Sn(Ti)+ M + Li et M = Zn, Mg
 _cod_database_code 1001290
;
_database_code_amcsd 0014278
_chemical_formula_sum 'Sn2.1 Ti.7 Zn1.6 Li1.6 O8'
_cell_length_a 6.011
_cell_length_b 6.011
_cell_length_c 9.815
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 307.124
_exptl_crystal_density_diffrn      5.694
_symmetry_space_group_name_H-M 'P 63 m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sn1   0.33333   0.66667   0.49600   1.00000
Sn2   0.16900  -0.16900   0.21700   0.36670
Ti1   0.16900  -0.16900   0.21700   0.23330
Zn1   0.16900  -0.16900   0.21700   0.20000
Li1   0.16900  -0.16900   0.21700   0.20000
Zn2   0.33333   0.66667  -0.08800   1.00000
Li2   0.00000   0.00000   0.52300   1.00000
O1   0.00000   0.00000   0.33100   1.00000
O2   0.33333   0.66667   0.12900   1.00000
O3   0.47200  -0.47200   0.35600   1.00000
O4   0.15900  -0.15900   0.62900   1.00000