data_global
_chemical_name_mineral 'Avicennite'
loop_
_publ_author_name
'Zachariasen W'
_journal_name_full 'Norsk Geologisk Tidsskrift'
_journal_volume 9 
_journal_year 1927
_journal_page_first 310
_journal_page_last 316
_publ_section_title
;
 The crystal structure of the modification C of the sesquioxides of the
 rare earth metals, and of indium and thallium.
 _cod_database_code 1010927
;
_database_code_amcsd 0017649
_chemical_formula_sum 'Tl2 O3'
_cell_length_a 10.57
_cell_length_b 10.57
_cell_length_c 10.57
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1180.932
_exptl_crystal_density_diffrn     10.276
_symmetry_space_group_name_H-M 'I 21 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-z,-x,1/2+y'
  '-z,1/2-x,+y'
  '-z,1/2+x,1/2-y'
  '1/2-z,+x,-y'
  '1/2+z,1/2-x,-y'
  '+z,-x,1/2-y'
  'z,x,y'
  '1/2+z,1/2+x,1/2+y'
  '1/2+y,1/2-z,-x'
  '+y,-z,1/2-x'
  '1/2-y,-z,1/2+x'
  '-y,1/2-z,+x'
  '-y,1/2+z,1/2-x'
  '1/2-y,+z,-x'
  'y,z,x'
  '1/2+y,1/2+z,1/2+x'
  '-x,1/2+y,1/2-z'
  '1/2-x,+y,-z'
  '1/2+x,1/2-y,-z'
  '+x,-y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,1/2-y,+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Tl1   0.25000   0.25000   0.25000
Tl2   0.02100   0.00000   0.25000
Tl3   0.54200   0.00000   0.25000
O1   0.12500   0.13500   0.39500
O2   0.10000   0.35800   0.37300