data_global
_chemical_name_mineral 'Selenium'
loop_
_publ_author_name
'Miyamoto Y'
_journal_name_full 'Japanese Journal of Applied Physics'
_journal_volume 19 
_journal_year 1980
_journal_page_first 1813
_journal_page_last 1819
_publ_section_title
;
 Structure and phase transformation of rhombohedral selenium composed of Se6 molecules
;
_database_code_amcsd 0012739
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Se'
_cell_length_a 11.362
_cell_length_b 11.362
_cell_length_c 4.429
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 495.160
_exptl_crystal_density_diffrn      4.766
_symmetry_space_group_name_H-M 'R -3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Se   0.16021   0.20227   0.12045
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
Se 0.02266 0.01982 0.02778 0.01040 -0.00289 -0.00322