# generated using pymatgen data_CsCu2F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.35650340 _cell_length_b 7.11505772 _cell_length_c 11.04577205 _cell_angle_alpha 57.89490029 _cell_angle_beta 90.02090545 _cell_angle_gamma 89.98623495 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsCu2F5 _chemical_formula_sum 'Cs4 Cu8 F20' _cell_volume 489.74220026 _cell_formula_units_Z 4 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 0.47362859 0.37674593 0.88084114 1.0 Cs Cs1 1 0.02632910 0.37671491 0.38088681 1.0 Cs Cs2 1 0.52637141 0.62325407 0.11915886 1.0 Cs Cs3 1 0.97367090 0.62328509 0.61911319 1.0 Cu Cu4 1 0.22999499 0.00261516 0.76300350 1.0 Cu Cu5 1 0.77000501 0.99738484 0.23699650 1.0 Cu Cu6 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu7 1 0.27015656 0.00253303 0.26299723 1.0 Cu Cu8 1 0.72984344 0.99746697 0.73700277 1.0 Cu Cu9 1 0.00000000 -0.00000000 -0.00000000 1.0 Cu Cu10 1 0.50000000 -0.00000000 0.50000000 1.0 Cu Cu11 1 0.00000000 0.50000000 -0.00000000 1.0 F F12 1 0.27950750 0.30560835 0.65253279 1.0 F F13 1 0.47444019 0.92313154 0.74233932 1.0 F F14 1 0.72049250 0.69439165 0.34746721 1.0 F F15 1 0.82448139 0.30454353 0.14471103 1.0 F F16 1 0.25063575 0.97897989 0.47140144 1.0 F F17 1 0.52555981 0.07686846 0.25766068 1.0 F F18 1 0.75068857 0.02093831 0.02848971 1.0 F F19 1 0.02803540 0.31142274 0.92597730 1.0 F F20 1 0.47179751 0.31151633 0.42604552 1.0 F F21 1 0.97451184 0.07712079 0.75737471 1.0 F F22 1 0.67527440 0.30450185 0.64489110 1.0 F F23 1 0.02548816 0.92287921 0.24262529 1.0 F F24 1 0.97196460 0.68857726 0.07402270 1.0 F F25 1 0.24931143 0.97906169 0.97151029 1.0 F F26 1 0.52820249 0.68848367 0.57395448 1.0 F F27 1 0.77940218 0.69468114 0.84746602 1.0 F F28 1 0.22059782 0.30531886 0.15253398 1.0 F F29 1 0.74936425 0.02102011 0.52859856 1.0 F F30 1 0.32472560 0.69549815 0.35510890 1.0 F F31 1 0.17551861 0.69545647 0.85528897 1.0