data_global
_chemical_name_mineral 'Cinnabar'
loop_
_publ_author_name
'Auvray P'
'Genet F'
_journal_name_full 'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_volume 96 
_journal_year 1973
_journal_page_first 218
_journal_page_last 219
_publ_section_title
;
 Affinement de la structure cristalline du cinabre a-HgS
;
_database_code_amcsd 0012137
_chemical_formula_sum 'Hg S'
_cell_length_a 4.145
_cell_length_b 4.145
_cell_length_c 9.496
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 141.293
_exptl_crystal_density_diffrn      8.203
_symmetry_space_group_name_H-M 'P 32 2 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,x,-z'
  '-y,x-y,2/3+z'
  '-x,-x+y,2/3-z'
  '-x+y,-x,1/3+z'
  'x-y,-y,1/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Hg   0.71980   0.00000   0.66667
S   0.48890   0.00000   0.16667
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
Hg 0.02559 0.03003 0.02787 0.00000 0.00518 0.00000
S 0.01860 0.01625 0.02558 0.00000 0.00432 0.00000