data_global
_amcsd_formula_title 'Ti2O'
loop_
_publ_author_name
'Wyckoff R W G'
_journal_name_full 'Crystal Structures'
_journal_volume 1 
_journal_year 1963
_journal_page_first 85
_journal_page_last 237
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_database_code_amcsd 0011654
_chemical_formula_sum 'Ti O.5'
_cell_length_a 4.991
_cell_length_b 4.991
_cell_length_c 2.879
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 62.108
_exptl_crystal_density_diffrn      4.482
_symmetry_space_group_name_H-M 'P 6/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,z'
  'x,x-y,-z'
  '-x+y,-x,-z'
  'x-y,x,z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,z'
  '-x+y,y,-z'
  'x,y,-z'
  '-x,-y,z'
  'x,x-y,z'
  '-x,-x+y,-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,z'
  '-y,-x,-z'
  '-y,x-y,-z'
  'y,-x+y,z'
  '-x+y,y,z'
  'x-y,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ti1   0.00000   0.00000   0.00000   1.00000
Ti2   0.33333   0.66667   0.50000   1.00000
O   0.50000   0.00000   0.00000   0.50000