data_global
_amcsd_formula_title 'I3 Sb Se2 Sn2'
loop_
_publ_author_name
'Ibanez A'
'Jumas J'
'Olivier-Fourcade J'
'Philippot E'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 55 
_journal_year 1984
_journal_page_first 83
_journal_page_last 91
_publ_section_title
;
 Mise en evidence d'un desordre statistique dans les structures
 chalcogenoiodures d'etain et d'antimoine.
 _cod_database_code 1008278
;
_database_code_amcsd 0016200
_chemical_formula_sum 'I3 Se2 Sn2 Sb'
_cell_length_a 4.298
_cell_length_b 14.085
_cell_length_c 17.222
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1042.574
_exptl_crystal_density_diffrn      5.720
_symmetry_space_group_name_H-M 'C m c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  'x,y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
I1   0.00000   0.44217   0.12365   1.00000
I2   0.00000   0.14800   0.25000   1.00000
Se1   0.00000   0.72350   0.08265   1.00000
Sn1   0.00000   0.12890   0.01233   1.00000
Sb1   0.00000   0.80070   0.23390   0.50000
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
I1 0.02170 0.02870 0.02600 0.00000 0.00000 -0.00810
I2 0.01950 0.02970 0.02330 0.00000 0.00000 0.00000
Se1 0.02230 0.02240 0.01340 0.00000 0.00000 -0.00100
Sn1 0.03010 0.04790 0.03390 0.00000 0.00000 0.00600
Sb1 0.03500 0.04600 0.03700 0.00000 0.00000 -0.01900