data_global
_amcsd_formula_title 'AuI'
loop_
_publ_author_name
'Wyckoff R W G'
_journal_name_full 'Crystal Structures'
_journal_volume 1 
_journal_year 1963
_journal_page_first 85
_journal_page_last 237
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_database_code_amcsd 0011664
_chemical_formula_sum 'Au I'
_cell_length_a 4.35
_cell_length_b 4.35
_cell_length_c 13.73
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 259.806
_exptl_crystal_density_diffrn      8.280
_symmetry_space_group_name_H-M 'P 42/n c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,z'
  '1/2+y,1/2+x,-z'
  '1/2+y,-x,1/2-z'
  '1/2-y,x,1/2+z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  'y,x,z'
  '-y,-x,-z'
  '-y,1/2+x,1/2-z'
  'y,1/2-x,1/2+z'
  '1/2-x,y,1/2+z'
  '1/2+x,-y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Au   0.00000   0.00000   0.00000
I   0.25000   0.25000   0.15300