# generated using pymatgen data_Zr3Cd3AgF20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.75703698 _cell_length_b 10.75703698 _cell_length_c 8.52095100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999373 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Cd3AgF20 _chemical_formula_sum 'Zr6 Cd6 Ag2 F40' _cell_volume 853.89417373 _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 Zr Zr0 1 0.58462700 0.72246200 0.25000000 1.0 Zr Zr1 1 0.86216500 0.58462700 0.75000000 1.0 Zr Zr2 1 0.41537300 0.27753800 0.75000000 1.0 Zr Zr3 1 0.13783500 0.41537300 0.25000000 1.0 Zr Zr4 1 0.27753800 0.86216500 0.25000000 1.0 Zr Zr5 1 0.72246200 0.13783500 0.75000000 1.0 Cd Cd6 1 0.16267800 0.43391500 0.75000000 1.0 Cd Cd7 1 0.56608500 0.72876300 0.75000000 1.0 Cd Cd8 1 0.83732200 0.56608500 0.25000000 1.0 Cd Cd9 1 0.72876300 0.16267800 0.25000000 1.0 Cd Cd10 1 0.27123700 0.83732200 0.75000000 1.0 Cd Cd11 1 0.43391500 0.27123700 0.25000000 1.0 Ag Ag12 1 0.00000000 0.00000000 0.25000000 1.0 Ag Ag13 1 0.00000000 0.00000000 0.75000000 1.0 F F14 1 0.36653000 0.55013500 0.25000000 1.0 F F15 1 0.72018900 0.14541700 0.98776100 1.0 F F16 1 0.76500000 0.96500700 0.75000000 1.0 F F17 1 0.77536400 0.71943400 0.75000000 1.0 F F18 1 0.00000000 0.00000000 0.00000000 1.0 F F19 1 0.20000600 0.23500000 0.75000000 1.0 F F20 1 0.03499300 0.79999400 0.75000000 1.0 F F21 1 0.05593000 0.77536400 0.25000000 1.0 F F22 1 0.27981100 0.85458300 0.48776100 1.0 F F23 1 0.14541700 0.42522800 0.48776100 1.0 F F24 1 0.63347000 0.44986500 0.75000000 1.0 F F25 1 0.94069800 0.41313800 0.25000000 1.0 F F26 1 0.79999400 0.76500000 0.25000000 1.0 F F27 1 0.85458300 0.57477200 0.98776100 1.0 F F28 1 0.57477200 0.72018900 0.01223900 1.0 F F29 1 0.23500000 0.03499300 0.25000000 1.0 F F30 1 0.71943400 0.94407000 0.25000000 1.0 F F31 1 0.81639500 0.36653000 0.75000000 1.0 F F32 1 0.22463600 0.28056600 0.25000000 1.0 F F33 1 0.47244000 0.05930200 0.25000000 1.0 F F34 1 0.27981100 0.85458300 0.01223900 1.0 F F35 1 0.52756000 0.94069800 0.75000000 1.0 F F36 1 0.42522800 0.27981100 0.98776100 1.0 F F37 1 0.41313800 0.47244000 0.75000000 1.0 F F38 1 0.14541700 0.42522800 0.01223900 1.0 F F39 1 0.72018900 0.14541700 0.51223900 1.0 F F40 1 0.28056600 0.05593000 0.75000000 1.0 F F41 1 0.85458300 0.57477200 0.51223900 1.0 F F42 1 0.05930200 0.58686200 0.75000000 1.0 F F43 1 0.44986500 0.81639500 0.25000000 1.0 F F44 1 0.00000000 0.00000000 0.50000000 1.0 F F45 1 0.58686200 0.52756000 0.25000000 1.0 F F46 1 0.55013500 0.18360500 0.75000000 1.0 F F47 1 0.94407000 0.22463600 0.75000000 1.0 F F48 1 0.42522800 0.27981100 0.51223900 1.0 F F49 1 0.66666700 0.33333300 0.25000000 1.0 F F50 1 0.96500700 0.20000600 0.25000000 1.0 F F51 1 0.57477200 0.72018900 0.48776100 1.0 F F52 1 0.18360500 0.63347000 0.25000000 1.0 F F53 1 0.33333300 0.66666700 0.75000000 1.0