data_global
_chemical_name_mineral 'Pilsenite'
loop_
_publ_author_name
'Yamana K'
'Kihara K'
'Matsumoto T'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 35 
_journal_year 1979
_journal_page_first 147
_journal_page_last 149
_publ_section_title
;
 Bismuth tellurides: BiTe and Bi4Te3
 Note: anisoB's from ICSD
;
_database_code_amcsd 0009659
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Bi4 Te3'
_cell_length_a 4.451
_cell_length_b 4.451
_cell_length_c 41.888
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 718.680
_exptl_crystal_density_diffrn      8.448
_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
Bi1   0.66667   0.33333   0.05050
Bi2   0.00000   0.00000   0.14600
Te1   0.00000   0.00000   0.00000
Te2   0.33333   0.66667   0.09270
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
Bi1 0.02424 0.02424 0.00889 0.01212 0.00000 0.00000
Bi2 0.01430 0.01430 0.02667 0.00715 0.00000 0.00000
Te1 0.00753 0.00753 0.06222 0.00376 0.00000 0.00000
Te2 0.03018 0.03018 0.02667 0.01513 0.00000 0.00000