# generated using pymatgen data_Cs4Pr6C2I13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.46666571 _cell_length_b 14.46666571 _cell_length_c 14.46666571 _cell_angle_alpha 101.39866265 _cell_angle_beta 101.39866265 _cell_angle_gamma 127.20949312 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs4Pr6C2I13 _chemical_formula_sum 'Cs8 Pr12 C4 I26' _cell_volume 2159.92632496 _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 0.15357700 0.15357700 0.30715300 1.0 Cs Cs1 1 0.40357700 0.59642300 0.50000000 1.0 Cs Cs2 1 0.09642300 0.90357700 0.50000000 1.0 Cs Cs3 1 0.84642300 0.84642300 0.69284700 1.0 Cs Cs4 1 0.09642300 0.59642300 0.19284700 1.0 Cs Cs5 1 0.84642300 0.15357700 0.00000000 1.0 Cs Cs6 1 0.15357700 0.84642300 0.00000000 1.0 Cs Cs7 1 0.40357700 0.90357700 0.80715300 1.0 Pr Pr8 1 0.26623900 0.26623900 0.00000000 1.0 Pr Pr9 1 0.51623900 0.01623900 0.50000000 1.0 Pr Pr10 1 0.73376100 0.73376100 0.00000000 1.0 Pr Pr11 1 0.98376100 0.48376100 0.50000000 1.0 Pr Pr12 1 0.35976600 0.49848800 0.86127900 1.0 Pr Pr13 1 0.74848800 0.38720900 0.63872100 1.0 Pr Pr14 1 0.74848800 0.10976600 0.36127900 1.0 Pr Pr15 1 0.63720900 0.49848800 0.13872100 1.0 Pr Pr16 1 0.50151200 0.64023400 0.13872100 1.0 Pr Pr17 1 0.50151200 0.36279100 0.86127900 1.0 Pr Pr18 1 0.61279100 0.25151200 0.36127900 1.0 Pr Pr19 1 0.89023400 0.25151200 0.63872100 1.0 C C20 1 0.44578500 0.44578500 0.00000000 1.0 C C21 1 0.69578500 0.19578500 0.50000000 1.0 C C22 1 0.55421500 0.55421500 0.00000000 1.0 C C23 1 0.80421500 0.30421500 0.50000000 1.0 I I24 1 0.25000000 0.75000000 0.50000000 1.0 I I25 1 0.00000000 0.00000000 0.00000000 1.0 I I26 1 0.67140300 0.67140300 0.34280700 1.0 I I27 1 0.92140300 0.07859700 0.50000000 1.0 I I28 1 0.57859700 0.42140300 0.50000000 1.0 I I29 1 0.32859700 0.32859700 0.65719300 1.0 I I30 1 0.57859700 0.07859700 0.15719300 1.0 I I31 1 0.32859700 0.67140300 0.00000000 1.0 I I32 1 0.67140300 0.32859700 0.00000000 1.0 I I33 1 0.92140300 0.42140300 0.84280700 1.0 I I34 1 0.57613100 0.75261700 0.82351400 1.0 I I35 1 0.00261700 0.67910400 0.67648600 1.0 I I36 1 0.00261700 0.32613100 0.32351400 1.0 I I37 1 0.92910400 0.75261700 0.17648600 1.0 I I38 1 0.24738300 0.42386900 0.17648600 1.0 I I39 1 0.24738300 0.07089600 0.82351400 1.0 I I40 1 0.32089600 0.99738300 0.32351400 1.0 I I41 1 0.67386900 0.99738300 0.67648600 1.0 I I42 1 0.07185700 0.24449300 0.82736500 1.0 I I43 1 0.49449300 0.16712800 0.67263500 1.0 I I44 1 0.49449300 0.82185700 0.32736500 1.0 I I45 1 0.41712800 0.24449300 0.17263500 1.0 I I46 1 0.75550700 0.92814300 0.17263500 1.0 I I47 1 0.75550700 0.58287200 0.82736500 1.0 I I48 1 0.83287200 0.50550700 0.32736500 1.0 I I49 1 0.17814300 0.50550700 0.67263500 1.0