data_global
_amcsd_formula_title 'N2.333 Ti4'
loop_
_publ_author_name
'Lengauer W'
'Ettmayer P'
_journal_name_full 'Journal of the Less-Common Metals'
_journal_volume 120 
_journal_year 1986
_journal_page_first 153
_journal_page_last 159
_publ_section_title
;
 The crystal structure of a new phase in the titanium-nitrogen system
 _cod_database_code 1100040
;
_database_code_amcsd 0018231
_chemical_formula_sum 'Ti N.583'
_cell_length_a 2.9795
_cell_length_b 2.9795
_cell_length_c 28.96492
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 222.684
_exptl_crystal_density_diffrn      5.015
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-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   0.12550   1.00000
Ti2   0.00000   0.00000   0.29100   1.00000
N1   0.00000   0.00000   0.41500   0.58300
N2   0.00000   0.00000   0.00000   0.58300
N3   0.00000   0.00000   0.50000   0.58300