[CIF]
data_KTiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46379312
_cell_length_b   4.46379312
_cell_length_c   5.09964800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTiSe
_chemical_formula_sum   'K1 Ti1 Se1'
_cell_volume   87.99924560
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  K  K0  1  0.00000000  0.00000000  0.02775483  1
  Se  Se1  1  2.23189656  1.28858608  2.51858509  1
  Ti  Ti2  1  0.00000000  2.57717216  2.55330808  1
[/CIF]
