data_global
_chemical_name_mineral 'Cadmoselite'
loop_
_publ_author_name
'Freeman D K'
'Mair S L'
'Barnea Z'
_journal_name_full 'Acta Crystallographica, Section A'
_journal_volume 33 
_journal_year 1977
_journal_page_first 355
_journal_page_last 359
_publ_section_title
;
 The structure and Bijvoet ratios of cadmium selenide
;
_database_code_amcsd 0019175
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Cd Se'
_cell_length_a 4.299
_cell_length_b 4.299
_cell_length_c 7.010
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 112.198
_exptl_crystal_density_diffrn      5.665
_symmetry_space_group_name_H-M 'P 63 m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cd   0.33333   0.66667   0.00000
Se   0.33333   0.66667   0.37679
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
Cd 0.01849 0.01849 0.02243 0.00000 0.00000 0.00000
Se 0.01532 0.01532 0.01215 0.00000 0.00000 0.00000