data_global
_chemical_name_mineral 'Cassiterite'
loop_
_publ_author_name
'Bolzan A A'
'Fong C'
'Kennedy B J'
'Howard C J'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 53 
_journal_year 1997
_journal_page_first 373
_journal_page_last 380
_publ_section_title
;
 Structural studies of rutile-type metal dioxides
;
_database_code_amcsd 0019242
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Sn O2'
_cell_length_a 4.7374
_cell_length_b 4.7374
_cell_length_c 3.1864
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 71.512
_exptl_crystal_density_diffrn      6.999
_symmetry_space_group_name_H-M 'P 42/m n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,x,-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  'y,x,z'
  '-y,-x,-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+y,1/2-x,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sn   0.00000   0.00000   0.00000
O   0.30562   0.30562   0.00000
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
Sn 0.00440 0.00440 0.00310 0.00040 0.00000 0.00000
O 0.00660 0.00000 0.00550 0.00160 0.00000 0.00000