# generated using pymatgen data_CsAlCuF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19280900 _cell_length_b 7.20399600 _cell_length_c 10.31484100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsAlCuF6 _chemical_formula_sum 'Cs4 Al4 Cu4 F24' _cell_volume 534.48377844 _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 0.48475500 0.25000000 0.12868700 1.0 Cs Cs1 1 0.98475500 0.25000000 0.37131300 1.0 Cs Cs2 1 0.51524500 0.75000000 0.87131300 1.0 Cs Cs3 1 0.01524500 0.75000000 0.62868700 1.0 Al Al4 1 0.00000000 0.00000000 0.00000000 1.0 Al Al5 1 0.50000000 0.50000000 0.50000000 1.0 Al Al6 1 0.00000000 0.50000000 0.00000000 1.0 Al Al7 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu8 1 0.27350900 0.25000000 0.75842200 1.0 Cu Cu9 1 0.77350900 0.25000000 0.74157800 1.0 Cu Cu10 1 0.72649100 0.75000000 0.24157800 1.0 Cu Cu11 1 0.22649100 0.75000000 0.25842200 1.0 F F12 1 0.02860100 0.25000000 0.67523000 1.0 F F13 1 0.52860100 0.25000000 0.82477000 1.0 F F14 1 0.97139900 0.75000000 0.32477000 1.0 F F15 1 0.47139900 0.75000000 0.17523000 1.0 F F16 1 0.47759200 0.25000000 0.45830500 1.0 F F17 1 0.97759200 0.25000000 0.04169500 1.0 F F18 1 0.52240800 0.75000000 0.54169500 1.0 F F19 1 0.02240800 0.75000000 0.95830500 1.0 F F20 1 0.15358300 0.97221900 0.13812100 1.0 F F21 1 0.65358300 0.52778100 0.36187900 1.0 F F22 1 0.84641700 0.47221900 0.86187900 1.0 F F23 1 0.34641700 0.02778100 0.63812100 1.0 F F24 1 0.84641700 0.02778100 0.86187900 1.0 F F25 1 0.34641700 0.47221900 0.63812100 1.0 F F26 1 0.15358300 0.52778100 0.13812100 1.0 F F27 1 0.65358300 0.97221900 0.36187900 1.0 F F28 1 0.20179700 0.04737900 0.89854600 1.0 F F29 1 0.70179700 0.45262100 0.60145400 1.0 F F30 1 0.79820300 0.54737900 0.10145400 1.0 F F31 1 0.29820300 0.95262100 0.39854600 1.0 F F32 1 0.79820300 0.95262100 0.10145400 1.0 F F33 1 0.29820300 0.54737900 0.39854600 1.0 F F34 1 0.20179700 0.45262100 0.89854600 1.0 F F35 1 0.70179700 0.04737900 0.60145400 1.0