data_global
_amcsd_formula_title 'NaIHg2O2'
loop_
_publ_author_name
'Aurivillius K'
_journal_name_full 'Acta Chemica Scandinavica'
_journal_volume 18 
_journal_year 1964
_journal_page_first 1305
_journal_page_last 1306
_publ_section_title
;
 Least-squares refinement of the crystal structures of orthorhombic HgO and of
 Hg2O2NaI
;
_database_code_amcsd 0011898
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Na I Hg2 O2'
_cell_length_a 6.667
_cell_length_b 6.667
_cell_length_c 10.054
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 387.017
_exptl_crystal_density_diffrn      7.505
_symmetry_space_group_name_H-M 'P 62 2 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,x-y,1/3-z'
  'x-y,x,1/3+z'
  'y,x,2/3-z'
  '-y,x-y,2/3+z'
  '-x+y,y,-z'
  '-x,-y,z'
  '-x,-x+y,1/3-z'
  '-x+y,-x,1/3+z'
  '-y,-x,2/3-z'
  'y,-x+y,2/3+z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na   0.00000   0.00000   0.50000  -0.00963
I   0.50000   0.00000   0.00000   0.00545
Hg   0.50000   0.00000   0.33333   0.00215
O   0.15210   0.30420   0.00000   0.00152