data_global
_chemical_name_mineral 'Kawazulite'
loop_
_publ_author_name
'Nakajima S'
_journal_name_full 'Journal of Physics and Chemistry of Solids'
_journal_volume 24 
_journal_year 1963
_journal_page_first 479
_journal_page_last 485
_publ_section_title
;
 The crystal structure of Bi2Te3-xSex
;
_database_code_amcsd 0013193
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Bi2 (Te2 Se)'
_cell_length_a 4.298
_cell_length_b 4.298
_cell_length_c 29.774
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 476.322
_exptl_crystal_density_diffrn      7.866
_symmetry_space_group_name_H-M 'R -3 m'
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'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Bi   0.00000   0.00000   0.39580   1.00000   0.02343
Te1   0.00000   0.00000   0.00000   0.66667   0.02343
Se1   0.00000   0.00000   0.00000   0.33333   0.02343
Te2   0.00000   0.00000   0.21180   0.66667   0.02343
Se2   0.00000   0.00000   0.21180   0.33333   0.02343