# generated using pymatgen data_CsLiCd12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.77282003 _cell_length_b 9.77280162 _cell_length_c 9.77264330 _cell_angle_alpha 60.00053591 _cell_angle_beta 60.00059823 _cell_angle_gamma 60.00012768 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsLiCd12 _chemical_formula_sum 'Cs2 Li2 Cd24' _cell_volume 659.99428586 _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 0.25000000 0.25000000 0.25000036 1.0 Cs Cs1 1 0.75000000 0.75000000 0.74999964 1.0 Li Li2 1 0.00000000 0.00000000 0.00000000 1.0 Li Li3 1 0.50000000 0.50000000 0.50000000 1.0 Cd Cd4 1 0.44201728 0.20309231 0.79690615 1.0 Cd Cd5 1 0.94201728 0.70309231 0.05798426 1.0 Cd Cd6 1 0.70309376 0.94201803 0.29690758 1.0 Cd Cd7 1 0.29691442 0.70308394 0.94203528 1.0 Cd Cd8 1 0.94203554 0.05796280 0.29691632 1.0 Cd Cd9 1 0.70309044 0.05796313 0.94203586 1.0 Cd Cd10 1 0.29690956 0.94203687 0.05796414 1.0 Cd Cd11 1 0.79690956 0.44203687 0.20308943 1.0 Cd Cd12 1 0.20308558 0.79691606 0.44203364 1.0 Cd Cd13 1 0.44203554 0.55796280 0.20308533 1.0 Cd Cd14 1 0.44203403 0.79691253 0.55796432 1.0 Cd Cd15 1 0.20309044 0.55796313 0.79691057 1.0 Cd Cd16 1 0.55796446 0.44203720 0.79691467 1.0 Cd Cd17 1 0.55796597 0.20308747 0.44203568 1.0 Cd Cd18 1 0.79691442 0.20308394 0.55796636 1.0 Cd Cd19 1 0.05796446 0.94203720 0.70308368 1.0 Cd Cd20 1 0.05798272 0.29690769 0.94201574 1.0 Cd Cd21 1 0.94203403 0.29691253 0.70308913 1.0 Cd Cd22 1 0.05796597 0.70308747 0.29691087 1.0 Cd Cd23 1 0.29690624 0.05798197 0.70309242 1.0 Cd Cd24 1 0.70308558 0.29691606 0.05796472 1.0 Cd Cd25 1 0.20309376 0.44201803 0.55798063 1.0 Cd Cd26 1 0.79690624 0.55798197 0.44201937 1.0 Cd Cd27 1 0.55798272 0.79690769 0.20309385 1.0