# generated using pymatgen data_KTi4Cl11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84492100 _cell_length_b 13.23460300 _cell_length_c 16.97242700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTi4Cl11 _chemical_formula_sum 'K4 Ti16 Cl44' _cell_volume 1537.52897114 _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 0.25000000 0.49577400 0.76023300 1.0 K K1 1 0.25000000 0.99577400 0.73976700 1.0 K K2 1 0.75000000 0.50422600 0.23976700 1.0 K K3 1 0.75000000 0.00422600 0.26023300 1.0 Ti Ti4 1 0.25000000 0.31585200 0.34999100 1.0 Ti Ti5 1 0.25000000 0.81585200 0.15000900 1.0 Ti Ti6 1 0.75000000 0.68414800 0.65000900 1.0 Ti Ti7 1 0.75000000 0.18414800 0.84999100 1.0 Ti Ti8 1 0.03521700 0.25406100 0.49272900 1.0 Ti Ti9 1 0.46478300 0.75406100 0.00727100 1.0 Ti Ti10 1 0.53521700 0.74593900 0.50727100 1.0 Ti Ti11 1 0.96478300 0.24593900 0.99272900 1.0 Ti Ti12 1 0.96478300 0.74593900 0.50727100 1.0 Ti Ti13 1 0.53521700 0.24593900 0.99272900 1.0 Ti Ti14 1 0.46478300 0.25406100 0.49272900 1.0 Ti Ti15 1 0.03521700 0.75406100 0.00727100 1.0 Ti Ti16 1 0.25000000 0.31908500 0.15672900 1.0 Ti Ti17 1 0.25000000 0.81908500 0.34327100 1.0 Ti Ti18 1 0.75000000 0.68091500 0.84327100 1.0 Ti Ti19 1 0.75000000 0.18091500 0.65672900 1.0 Cl Cl20 1 0.25000000 0.15255600 0.41104900 1.0 Cl Cl21 1 0.25000000 0.65255600 0.08895100 1.0 Cl Cl22 1 0.75000000 0.84744400 0.58895100 1.0 Cl Cl23 1 0.75000000 0.34744400 0.91104900 1.0 Cl Cl24 1 0.25000000 0.33562200 0.58283700 1.0 Cl Cl25 1 0.25000000 0.83562200 0.91716300 1.0 Cl Cl26 1 0.75000000 0.66437800 0.41716300 1.0 Cl Cl27 1 0.75000000 0.16437800 0.08283700 1.0 Cl Cl28 1 0.99800000 0.09496500 0.91612600 1.0 Cl Cl29 1 0.50200000 0.59496500 0.58387400 1.0 Cl Cl30 1 0.49800000 0.90503500 0.08387400 1.0 Cl Cl31 1 0.00200000 0.40503500 0.41612600 1.0 Cl Cl32 1 0.00200000 0.90503500 0.08387400 1.0 Cl Cl33 1 0.49800000 0.40503500 0.41612600 1.0 Cl Cl34 1 0.50200000 0.09496500 0.91612600 1.0 Cl Cl35 1 0.99800000 0.59496500 0.58387400 1.0 Cl Cl36 1 0.25000000 0.46374800 0.25051600 1.0 Cl Cl37 1 0.25000000 0.96374800 0.24948400 1.0 Cl Cl38 1 0.75000000 0.53625200 0.74948400 1.0 Cl Cl39 1 0.75000000 0.03625200 0.75051600 1.0 Cl Cl40 1 0.01192500 0.24858200 0.25066300 1.0 Cl Cl41 1 0.48807500 0.74858200 0.24933700 1.0 Cl Cl42 1 0.51192500 0.75141800 0.74933700 1.0 Cl Cl43 1 0.98807500 0.25141800 0.75066300 1.0 Cl Cl44 1 0.98807500 0.75141800 0.74933700 1.0 Cl Cl45 1 0.51192500 0.25141800 0.75066300 1.0 Cl Cl46 1 0.48807500 0.24858200 0.25066300 1.0 Cl Cl47 1 0.01192500 0.74858200 0.24933700 1.0 Cl Cl48 1 0.25000000 0.32202300 0.92139500 1.0 Cl Cl49 1 0.25000000 0.82202300 0.57860500 1.0 Cl Cl50 1 0.75000000 0.67797700 0.07860500 1.0 Cl Cl51 1 0.75000000 0.17797700 0.42139500 1.0 Cl Cl52 1 0.25000000 0.16896200 0.07313000 1.0 Cl Cl53 1 0.25000000 0.66896200 0.42687000 1.0 Cl Cl54 1 0.75000000 0.83103800 0.92687000 1.0 Cl Cl55 1 0.75000000 0.33103800 0.57313000 1.0 Cl Cl56 1 0.00531400 0.10301100 0.58142400 1.0 Cl Cl57 1 0.49468600 0.60301100 0.91857600 1.0 Cl Cl58 1 0.50531400 0.89698900 0.41857600 1.0 Cl Cl59 1 0.99468600 0.39698900 0.08142400 1.0 Cl Cl60 1 0.99468600 0.89698900 0.41857600 1.0 Cl Cl61 1 0.50531400 0.39698900 0.08142400 1.0 Cl Cl62 1 0.49468600 0.10301100 0.58142400 1.0 Cl Cl63 1 0.00531400 0.60301100 0.91857600 1.0