data_global
_amcsd_formula_title 'Cl4 H12 N4 Ti'
loop_
_publ_author_name
'Brager A'
_journal_name_full 'Acta Physicochimica'
_journal_volume 10 
_journal_year 1939
_journal_page_first 887
_journal_page_last 902
_publ_section_title
;
 An X-Ray Examination of Titanium Nitride. II.
 _cod_database_code 1010200
;
_database_code_amcsd 0017136
_chemical_formula_sum 'Ti Cl4 N4'
_cell_length_a 7.72
_cell_length_b 7.72
_cell_length_c 7.72
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 460.100
_exptl_crystal_density_diffrn      1.774
_symmetry_space_group_name_H-M 'I 4/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  'y,x,-z'
  '1/2+y,1/2+x,1/2-z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'y,x,z'
  '1/2+y,1/2+x,1/2+z'
  '-y,-x,-z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ti1   0.00000   0.00000   0.00000
Cl1   0.00000   0.00000   0.26500
Cl2   0.00000   0.50000   0.25000
N1   0.30000   0.30000   0.00000