# generated using pymatgen data_Cs4Ir2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45928476 _cell_length_b 6.45928446 _cell_length_c 17.38952024 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999196 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs4Ir2O9 _chemical_formula_sum 'Cs8 Ir4 O18' _cell_volume 628.32900669 _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 0.00000000 0.00000000 0.75000000 1.0 Cs Cs1 1 0.00000000 0.00000000 0.25000000 1.0 Cs Cs2 1 0.66666700 0.33333300 0.62530257 1.0 Cs Cs3 1 0.33333300 0.66666700 0.12530257 1.0 Cs Cs4 1 0.33333300 0.66666700 0.37469743 1.0 Cs Cs5 1 0.66666700 0.33333300 0.87469743 1.0 Cs Cs6 1 0.00000000 0.00000000 0.50000000 1.0 Cs Cs7 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir8 1 0.66666700 0.33333300 0.33252958 1.0 Ir Ir9 1 0.33333300 0.66666700 0.83252958 1.0 Ir Ir10 1 0.33333300 0.66666700 0.66747042 1.0 Ir Ir11 1 0.66666700 0.33333300 0.16747042 1.0 O O12 1 0.46309278 0.92257516 0.75000000 1.0 O O13 1 0.07742484 0.54051763 0.75000000 1.0 O O14 1 0.45948237 0.53690722 0.75000000 1.0 O O15 1 0.53690722 0.07742484 0.25000000 1.0 O O16 1 0.92257516 0.45948237 0.25000000 1.0 O O17 1 0.54051763 0.46309278 0.25000000 1.0 O O18 1 0.18866208 0.38196796 0.61651030 1.0 O O19 1 0.61803204 0.80669313 0.61651030 1.0 O O20 1 0.19330687 0.81133792 0.61651030 1.0 O O21 1 0.81133792 0.61803204 0.11651030 1.0 O O22 1 0.38196796 0.19330687 0.11651030 1.0 O O23 1 0.80669313 0.18866208 0.11651030 1.0 O O24 1 0.81133792 0.61803204 0.38348970 1.0 O O25 1 0.38196796 0.19330687 0.38348970 1.0 O O26 1 0.80669313 0.18866208 0.38348970 1.0 O O27 1 0.18866208 0.38196796 0.88348970 1.0 O O28 1 0.61803204 0.80669313 0.88348970 1.0 O O29 1 0.19330687 0.81133792 0.88348970 1.0