# generated using pymatgen data_K4(TiTe3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.26103600 _cell_length_b 9.09045400 _cell_length_c 29.92113096 _cell_angle_alpha 87.77403510 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K4(TiTe3)3 _chemical_formula_sum 'K16 Ti12 Te36' _cell_volume 2245.27871100 _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 0.76546300 0.39132900 0.51602200 1.0 K K1 1 0.26546300 0.60867100 0.98397800 1.0 K K2 1 0.23453700 0.60867100 0.48397800 1.0 K K3 1 0.73453700 0.39132900 0.01602200 1.0 K K4 1 0.78524900 0.93144500 0.56630400 1.0 K K5 1 0.28524900 0.06855500 0.93369600 1.0 K K6 1 0.21475100 0.06855500 0.43369600 1.0 K K7 1 0.71475100 0.93144500 0.06630400 1.0 K K8 1 0.76052300 0.12544800 0.23370300 1.0 K K9 1 0.26052300 0.87455200 0.26629700 1.0 K K10 1 0.23947700 0.87455200 0.76629700 1.0 K K11 1 0.73947700 0.12544800 0.73370300 1.0 K K12 1 0.77695700 0.57186900 0.68170300 1.0 K K13 1 0.27695700 0.42813100 0.81829700 1.0 K K14 1 0.22304300 0.42813100 0.31829700 1.0 K K15 1 0.72304300 0.57186900 0.18170300 1.0 Ti Ti16 1 0.73313600 0.25102900 0.37309600 1.0 Ti Ti17 1 0.23313600 0.74897100 0.12690400 1.0 Ti Ti18 1 0.26686400 0.74897100 0.62690400 1.0 Ti Ti19 1 0.76686400 0.25102900 0.87309600 1.0 Ti Ti20 1 0.81128100 0.91902700 0.87000400 1.0 Ti Ti21 1 0.31128100 0.08097300 0.62999600 1.0 Ti Ti22 1 0.18871900 0.08097300 0.12999600 1.0 Ti Ti23 1 0.68871900 0.91902700 0.37000400 1.0 Ti Ti24 1 0.80286700 0.58442000 0.88281300 1.0 Ti Ti25 1 0.30286700 0.41558000 0.61718700 1.0 Ti Ti26 1 0.19713300 0.41558000 0.11718700 1.0 Ti Ti27 1 0.69713300 0.58442000 0.38281300 1.0 Te Te28 1 0.96924600 0.42207300 0.40990000 1.0 Te Te29 1 0.46924600 0.57792700 0.09010000 1.0 Te Te30 1 0.03075400 0.57792700 0.59010000 1.0 Te Te31 1 0.53075400 0.42207300 0.90990000 1.0 Te Te32 1 0.01060300 0.11454200 0.82519600 1.0 Te Te33 1 0.51060300 0.88545800 0.67480400 1.0 Te Te34 1 0.98939700 0.88545800 0.17480400 1.0 Te Te35 1 0.48939700 0.11454200 0.32519600 1.0 Te Te36 1 0.99440400 0.61675300 0.07458600 1.0 Te Te37 1 0.49440400 0.38324700 0.42541400 1.0 Te Te38 1 0.00559600 0.38324700 0.92541400 1.0 Te Te39 1 0.50559600 0.61675300 0.57458600 1.0 Te Te40 1 0.96772000 0.07216200 0.33909600 1.0 Te Te41 1 0.46772000 0.92783800 0.16090400 1.0 Te Te42 1 0.03228000 0.92783800 0.66090400 1.0 Te Te43 1 0.53228000 0.07216200 0.83909600 1.0 Te Te44 1 0.83422900 0.44820400 0.80075800 1.0 Te Te45 1 0.33422900 0.55179600 0.69924200 1.0 Te Te46 1 0.16577100 0.55179600 0.19924200 1.0 Te Te47 1 0.66577100 0.44820400 0.30075800 1.0 Te Te48 1 0.83427600 0.06865400 0.94907900 1.0 Te Te49 1 0.33427600 0.93134600 0.55092100 1.0 Te Te50 1 0.16572400 0.93134600 0.05092100 1.0 Te Te51 1 0.66572400 0.06865400 0.44907900 1.0 Te Te52 1 0.83877800 0.74074400 0.30870200 1.0 Te Te53 1 0.33877800 0.25925600 0.19129800 1.0 Te Te54 1 0.16122200 0.25925600 0.69129800 1.0 Te Te55 1 0.66122200 0.74074400 0.80870200 1.0 Te Te56 1 0.83971100 0.76876300 0.44379800 1.0 Te Te57 1 0.33971100 0.23123700 0.05620200 1.0 Te Te58 1 0.16028900 0.23123700 0.55620200 1.0 Te Te59 1 0.66028900 0.76876300 0.94379800 1.0 Te Te60 1 0.91256300 0.25292600 0.12271600 1.0 Te Te61 1 0.41256300 0.74707400 0.37728400 1.0 Te Te62 1 0.08743700 0.74707400 0.87728400 1.0 Te Te63 1 0.58743700 0.25292600 0.62271600 1.0