# generated using pymatgen
data_K(TiSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30578244
_cell_length_b   7.27779791
_cell_length_c   16.15019066
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K(TiSe2)2
_chemical_formula_sum   'K4 Ti8 Se16'
_cell_volume   741.16794487
_cell_formula_units_Z   4
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  0.35214492  0.00000000  0.00000000  1.0
  K  K1  1  0.64785508  0.50000000  0.50000000  1.0
  K  K2  1  0.02409570  0.00000000  0.50000000  1.0
  K  K3  1  0.97590430  0.50000000  0.00000000  1.0
  Ti  Ti4  1  0.00137544  0.00000000  0.24968045  1.0
  Ti  Ti5  1  0.00137544  0.00000000  0.75031955  1.0
  Ti  Ti6  1  0.99862456  0.50000000  0.25031955  1.0
  Ti  Ti7  1  0.99862456  0.50000000  0.74968045  1.0
  Ti  Ti8  1  0.50000000  0.25000000  0.25000000  1.0
  Ti  Ti9  1  0.50000000  0.75000000  0.75000000  1.0
  Ti  Ti10  1  0.50000000  0.75000000  0.25000000  1.0
  Ti  Ti11  1  0.50000000  0.25000000  0.75000000  1.0
  Se  Se12  1  0.83303025  0.24976888  0.34340532  1.0
  Se  Se13  1  0.83303025  0.75023112  0.65659468  1.0
  Se  Se14  1  0.16696975  0.74976888  0.15659468  1.0
  Se  Se15  1  0.16696975  0.25023112  0.84340532  1.0
  Se  Se16  1  0.16696975  0.25023112  0.15659468  1.0
  Se  Se17  1  0.16696975  0.74976888  0.84340532  1.0
  Se  Se18  1  0.83303025  0.75023112  0.34340532  1.0
  Se  Se19  1  0.83303025  0.24976888  0.65659468  1.0
  Se  Se20  1  0.67084933  0.00000000  0.15739970  1.0
  Se  Se21  1  0.67084933  0.00000000  0.84260030  1.0
  Se  Se22  1  0.32915067  0.50000000  0.34260030  1.0
  Se  Se23  1  0.32915067  0.50000000  0.65739970  1.0
  Se  Se24  1  0.33638000  0.00000000  0.34232203  1.0
  Se  Se25  1  0.33638000  0.00000000  0.65767797  1.0
  Se  Se26  1  0.66362000  0.50000000  0.15767797  1.0
  Se  Se27  1  0.66362000  0.50000000  0.84232203  1.0