data_global
_amcsd_formula_title 'Se2 Ti'
loop_
_publ_author_name
'Oftedal I'
_journal_name_full 'Zeitschrift fur Physikalische Chemie'
_journal_volume 134 
_journal_year 1928
_journal_page_first 301
_journal_page_last 310
_publ_section_title
;
 Roentgenographische Untersuchungen von Sn S2, Ti S2, Ti Se2, Ti Te2
 _cod_database_code 1010276
;
_database_code_amcsd 0017202
_chemical_formula_sum 'Ti Se2'
_cell_length_a 3.533
_cell_length_b 3.533
_cell_length_c 5.995
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 64.805
_exptl_crystal_density_diffrn      5.273
_symmetry_space_group_name_H-M 'P -3 m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,-x+y,-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  '-x+y,y,z'
  '-x,-y,-z'
  'y,x,-z'
  '-y,x-y,z'
  'x,x-y,z'
  'x-y,x,-z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ti1   0.00000   0.00000   0.00000
Se1   0.33333   0.66667   0.25000