# generated using pymatgen data_CsTi3Si2P6O25 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.36275501 _cell_length_b 8.36275501 _cell_length_c 17.52852100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999218 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsTi3Si2P6O25 _chemical_formula_sum 'Cs2 Ti6 Si4 P12 O50' _cell_volume 1061.63367929 _cell_formula_units_Z 2 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 0.33333300 0.66666700 0.25000000 1.0 Cs Cs1 1 0.66666700 0.33333300 0.75000000 1.0 Ti Ti2 1 0.33333300 0.66666700 0.02232400 1.0 Ti Ti3 1 0.33333300 0.66666700 0.47767600 1.0 Ti Ti4 1 0.66666700 0.33333300 0.97767600 1.0 Ti Ti5 1 0.66666700 0.33333300 0.52232400 1.0 Ti Ti6 1 0.66666700 0.33333300 0.25000000 1.0 Ti Ti7 1 0.33333300 0.66666700 0.75000000 1.0 Si Si8 1 0.00000000 0.00000000 0.09133400 1.0 Si Si9 1 0.00000000 0.00000000 0.40866600 1.0 Si Si10 1 0.00000000 0.00000000 0.90866600 1.0 Si Si11 1 0.00000000 0.00000000 0.59133400 1.0 P P12 1 0.38406600 0.33223800 0.10915200 1.0 P P13 1 0.66776200 0.05182900 0.10915200 1.0 P P14 1 0.94817100 0.61593400 0.10915200 1.0 P P15 1 0.66776200 0.61593400 0.39084800 1.0 P P16 1 0.94817100 0.33223800 0.39084800 1.0 P P17 1 0.38406600 0.05182900 0.39084800 1.0 P P18 1 0.61593400 0.66776200 0.89084800 1.0 P P19 1 0.33223800 0.94817100 0.89084800 1.0 P P20 1 0.05182900 0.38406600 0.89084800 1.0 P P21 1 0.33223800 0.38406600 0.60915200 1.0 P P22 1 0.05182900 0.66776200 0.60915200 1.0 P P23 1 0.61593400 0.94817100 0.60915200 1.0 O O24 1 0.11797500 0.59978000 0.08955700 1.0 O O25 1 0.40022000 0.51819600 0.08955700 1.0 O O26 1 0.48180400 0.88202500 0.08955700 1.0 O O27 1 0.40022000 0.88202500 0.41044300 1.0 O O28 1 0.48180400 0.59978000 0.41044300 1.0 O O29 1 0.11797500 0.51819600 0.41044300 1.0 O O30 1 0.88202500 0.40022000 0.91044300 1.0 O O31 1 0.59978000 0.48180400 0.91044300 1.0 O O32 1 0.51819600 0.11797500 0.91044300 1.0 O O33 1 0.59978000 0.11797500 0.58955700 1.0 O O34 1 0.51819600 0.40022000 0.58955700 1.0 O O35 1 0.88202500 0.48180400 0.58955700 1.0 O O36 1 0.80765000 0.25340500 0.45607300 1.0 O O37 1 0.74659500 0.55424600 0.45607300 1.0 O O38 1 0.44575400 0.19235000 0.45607300 1.0 O O39 1 0.74659500 0.19235000 0.04392700 1.0 O O40 1 0.44575400 0.25340500 0.04392700 1.0 O O41 1 0.80765000 0.55424600 0.04392700 1.0 O O42 1 0.19235000 0.74659500 0.54392700 1.0 O O43 1 0.25340500 0.44575400 0.54392700 1.0 O O44 1 0.55424600 0.80765000 0.54392700 1.0 O O45 1 0.25340500 0.80765000 0.95607300 1.0 O O46 1 0.55424600 0.74659500 0.95607300 1.0 O O47 1 0.19235000 0.44575400 0.95607300 1.0 O O48 1 0.47883600 0.34578400 0.18526100 1.0 O O49 1 0.65421600 0.13305300 0.18526100 1.0 O O50 1 0.86694700 0.52116400 0.18526100 1.0 O O51 1 0.65421600 0.52116400 0.31473900 1.0 O O52 1 0.86694700 0.34578400 0.31473900 1.0 O O53 1 0.47883600 0.13305300 0.31473900 1.0 O O54 1 0.52116400 0.65421600 0.81473900 1.0 O O55 1 0.34578400 0.86694700 0.81473900 1.0 O O56 1 0.13305300 0.47883600 0.81473900 1.0 O O57 1 0.34578400 0.47883600 0.68526100 1.0 O O58 1 0.13305300 0.65421600 0.68526100 1.0 O O59 1 0.52116400 0.86694700 0.68526100 1.0 O O60 1 0.00000000 0.00000000 0.00000000 1.0 O O61 1 0.00000000 0.00000000 0.50000000 1.0 O O62 1 0.02219400 0.82997200 0.12472000 1.0 O O63 1 0.17002800 0.19222300 0.12472000 1.0 O O64 1 0.80777700 0.97780600 0.12472000 1.0 O O65 1 0.17002800 0.97780600 0.37528000 1.0 O O66 1 0.80777700 0.82997200 0.37528000 1.0 O O67 1 0.02219400 0.19222300 0.37528000 1.0 O O68 1 0.97780600 0.17002800 0.87528000 1.0 O O69 1 0.82997200 0.80777700 0.87528000 1.0 O O70 1 0.19222300 0.02219400 0.87528000 1.0 O O71 1 0.82997200 0.02219400 0.62472000 1.0 O O72 1 0.19222300 0.17002800 0.62472000 1.0 O O73 1 0.97780600 0.80777700 0.62472000 1.0