data_global
_chemical_name_mineral 'Calomel'
loop_
_publ_author_name
'Hylleraas E'
_journal_name_full 'Zeitschrift fur Physik'
_journal_volume 36 
_journal_year 1926
_journal_page_first 859
_journal_page_last 896
_publ_section_title
;
 Die Anordnung der Atome in den tetragonalen Kristallen der einwertigen
 Quecksilberhalogenide Hg2 Cl2, Hg2 Br2, Hg2 J2. Berechnung der
 optischen Doppelbrechung von Hg2 Cl2.
 _cod_database_code 1010948
;
_database_code_amcsd 0017669
_chemical_formula_sum 'Hg Cl'
_cell_length_a 4.464
_cell_length_b 4.464
_cell_length_c 10.9
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 217.208
_exptl_crystal_density_diffrn      7.218
_symmetry_space_group_name_H-M 'I 4/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  'y,x,-z'
  '1/2+y,1/2+x,1/2-z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'y,x,z'
  '1/2+y,1/2+x,1/2+z'
  '-y,-x,-z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Hg1   0.00000   0.00000   0.11700
Cl1   0.00000   0.00000   0.34700