data_global
_amcsd_formula_title 'NiTiO3'
loop_
_publ_author_name
'Posnjak E'
'Barth T F W'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 88 
_journal_year 1934
_journal_page_first 271
_journal_page_last 280
_publ_section_title
;
 Notes on some structures of the ilmenite type
;
_database_code_amcsd 0010537
_chemical_formula_sum 'Ni Ti O3'
_cell_length_a 5.45
_cell_length_b 5.45
_cell_length_c 5.45
_cell_angle_alpha 55.13
_cell_angle_beta 55.13
_cell_angle_gamma 55.13
_cell_volume 101.502
_exptl_crystal_density_diffrn      5.057
_symmetry_space_group_name_H-M 'R -3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-z,-x,-y'
  'y,z,x'
  '-x,-y,-z'
  'z,x,y'
  '-y,-z,-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ni   0.35300   0.35300   0.35300
Ti   0.14200   0.14200   0.14200
O   0.55500  -0.05500   0.25000