# generated using pymatgen data_Cs13Ti2(In3P5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.59807278 _cell_length_b 9.62260666 _cell_length_c 13.81430193 _cell_angle_alpha 83.26125194 _cell_angle_beta 79.59426312 _cell_angle_gamma 64.58212097 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs13Ti2(In3P5)2 _chemical_formula_sum 'Cs13 Ti2 In6 P10' _cell_volume 1132.27404622 _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 Cs Cs0 1 0.50729802 0.87241650 0.35818854 1.0 Cs Cs1 1 0.49270198 0.12758350 0.64181146 1.0 Cs Cs2 1 0.85053143 0.58196701 0.88101984 1.0 Cs Cs3 1 0.14946857 0.41803299 0.11898016 1.0 Cs Cs4 1 0.09562523 0.78229239 0.42662507 1.0 Cs Cs5 1 0.90437477 0.21770761 0.57337493 1.0 Cs Cs6 1 0.74963371 0.68340691 0.59474569 1.0 Cs Cs7 1 0.25036629 0.31659309 0.40525431 1.0 Cs Cs8 1 0.50000000 0.50000000 0.00000000 1.0 Cs Cs9 1 0.32492993 0.92417747 0.09171295 1.0 Cs Cs10 1 0.67507007 0.07582253 0.90828705 1.0 Cs Cs11 1 0.90099430 0.86421875 0.15761683 1.0 Cs Cs12 1 0.09900570 0.13578125 0.84238317 1.0 Ti Ti13 1 0.37831294 0.73644946 0.77454132 1.0 Ti Ti14 1 0.62168706 0.26355054 0.22545868 1.0 In In15 1 0.04112363 0.80494926 0.70907802 1.0 In In16 1 0.95887637 0.19505074 0.29092198 1.0 In In17 1 0.59690981 0.44343590 0.40848762 1.0 In In18 1 0.40309019 0.55656410 0.59151238 1.0 In In19 1 0.72134025 0.55353040 0.17671509 1.0 In In20 1 0.27865975 0.44646960 0.82328491 1.0 P P21 1 0.44689285 0.53658343 0.25576162 1.0 P P22 1 0.55310715 0.46341657 0.74423838 1.0 P P23 1 0.14550183 0.73780051 0.88515108 1.0 P P24 1 0.85449817 0.26219949 0.11484892 1.0 P P25 1 0.70655095 0.14316104 0.38344026 1.0 P P26 1 0.29344905 0.85683896 0.61655974 1.0 P P27 1 0.84872391 0.49829278 0.34878043 1.0 P P28 1 0.15127609 0.50170722 0.65121957 1.0 P P29 1 0.49298406 0.86038370 0.83962043 1.0 P P30 1 0.50701594 0.13961630 0.16037957 1.0