data_global
_chemical_name_mineral 'Bukovite'
loop_
_publ_author_name
'Makovicky E'
'Johan Z'
'Karup-Moller S'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_volume 138 
_journal_year 1980
_journal_page_first 122
_journal_page_last 146
_publ_section_title
;
 New data on bukovite, thalcusite, chalcothallite and rohaite
;
_database_code_amcsd 0018803
_chemical_compound_source 'Bukov, Czechoslovakia'
_chemical_formula_sum 'Tl (Cu1.55 Fe.45) Se2'
_cell_length_a 3.976
_cell_length_b 3.976
_cell_length_c 13.70
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 216.577
_exptl_crystal_density_diffrn      7.451
_symmetry_space_group_name_H-M 'I 4/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  'y,x,-z'
  '1/2+y,1/2+x,1/2-z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'y,x,z'
  '1/2+y,1/2+x,1/2+z'
  '-y,-x,-z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tl   0.00000   0.00000   0.00000   1.00000
Cu   0.00000   0.50000   0.25000   0.77500
Fe   0.00000   0.50000   0.25000   0.22500
Se   0.00000   0.00000   0.35500   1.00000