data_global
_amcsd_formula_title 'I4 Sn'
loop_
_publ_author_name
'Dickinson R'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 64 
_journal_year 1926
_journal_page_first 400
_journal_page_last 404
_publ_section_title
;
 Die Symmetrie und der Elementarbereich von Zinntetrajodid.
 _cod_database_code 1010501
;
_database_code_amcsd 0017417
_chemical_formula_sum 'Sn I4'
_cell_length_a 12.23
_cell_length_b 12.23
_cell_length_c 12.23
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1829.276
_exptl_crystal_density_diffrn      4.548
_symmetry_space_group_name_H-M 'P a 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+z,x,1/2-y'
  'z,1/2-x,1/2+y'
  '1/2-z,1/2+x,y'
  '-z,-x,-y'
  '1/2+y,1/2-z,-x'
  '1/2-y,-z,1/2+x'
  '-y,1/2+z,1/2-x'
  'y,z,x'
  'x,1/2-y,1/2+z'
  '1/2-x,1/2+y,z'
  '1/2+x,y,1/2-z'
  '-x,-y,-z'
  '1/2-z,-x,1/2+y'
  '-z,1/2+x,1/2-y'
  '1/2+z,1/2-x,-y'
  'z,x,y'
  '1/2-y,1/2+z,x'
  '1/2+y,z,1/2-x'
  'y,1/2-z,1/2+x'
  '-y,-z,-x'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sn1   0.12900   0.12900   0.12900
I1   0.25300   0.25300   0.25300
I2   0.00900   0.00100   0.25300