data_global
_amcsd_formula_title 'O Ti'
loop_
_publ_author_name
'Watanabe D'
'Castles J'
'Jostsons A'
'Malin A'
_journal_name_full 'Acta Crystallographica'
_journal_volume 23 
_journal_year 1967
_journal_page_first 307
_journal_page_last 313
_publ_section_title
;
 The ordered structure of Ti O
 _cod_database_code 1100042
;
_database_code_amcsd 0018233
_chemical_formula_sum 'Ti5 O5'
_cell_length_a 5.855
_cell_length_b 9.340
_cell_length_c 4.142
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 107.53
_cell_volume 215.989
_exptl_crystal_density_diffrn      4.911
_symmetry_space_group_name_H-M 'A 1 1 2/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  'x,y,-z'
  'x,1/2+y,1/2-z'
  '-x,-y,z'
  '-x,1/2-y,1/2+z'
  '-x,-y,-z'
  '-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ti1   0.50000   0.00000   0.00000
Ti2   0.16400   0.33600   0.00000
Ti3   0.66660   0.34000   0.00000
O1   0.32400   0.18100   0.00000
O2   0.81900   0.16500   0.00000
O3   0.00000   0.50000   0.00000