# generated using pymatgen data_K2ZnCu3P3O12F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.36556291 _cell_length_b 4.87981883 _cell_length_c 7.87006132 _cell_angle_alpha 89.91131839 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2ZnCu3P3O12F _chemical_formula_sum 'K4 Zn2 Cu6 P6 O24 F2' _cell_volume 551.70121849 _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 K K0 1 0.25000000 0.44778759 0.36104323 1.0 K K1 1 0.50000000 0.50000000 0.00000000 1.0 K K2 1 0.75000000 0.55221241 0.63895677 1.0 K K3 1 0.00000000 0.50000000 0.00000000 1.0 Zn Zn4 1 0.75000000 0.03214184 0.95376538 1.0 Zn Zn5 1 0.25000000 0.96785816 0.04623462 1.0 Cu Cu6 1 0.63778174 0.06597655 0.35579176 1.0 Cu Cu7 1 0.86221826 0.06597655 0.35579176 1.0 Cu Cu8 1 0.13778174 0.93402345 0.64420824 1.0 Cu Cu9 1 0.36221826 0.93402345 0.64420824 1.0 Cu Cu10 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu11 1 0.50000000 0.50000000 0.50000000 1.0 P P12 1 0.06627262 0.99707792 0.29340336 1.0 P P13 1 0.75000000 0.52795913 0.18080613 1.0 P P14 1 0.93372738 0.00292208 0.70659664 1.0 P P15 1 0.25000000 0.47204087 0.81919387 1.0 P P16 1 0.56627262 0.00292208 0.70659664 1.0 P P17 1 0.43372738 0.99707792 0.29340336 1.0 O O18 1 0.33804323 0.56264269 0.72374742 1.0 O O19 1 0.66195677 0.43735731 0.27625258 1.0 O O20 1 0.52965555 0.05719526 0.21676122 1.0 O O21 1 0.75000000 0.42165387 0.99697626 1.0 O O22 1 0.86020221 0.91638344 0.83384825 1.0 O O23 1 0.57882013 0.83116749 0.53903148 1.0 O O24 1 0.25000000 0.57834613 0.00302374 1.0 O O25 1 0.47034445 0.94280474 0.78323878 1.0 O O26 1 0.92343559 0.30842842 0.66124132 1.0 O O27 1 0.25000000 0.15335718 0.82457037 1.0 O O28 1 0.36020221 0.08361656 0.16615175 1.0 O O29 1 0.16195677 0.56264269 0.72374742 1.0 O O30 1 0.42117987 0.16883251 0.46096852 1.0 O O31 1 0.57656441 0.30842842 0.66124132 1.0 O O32 1 0.02965555 0.94280474 0.78323878 1.0 O O33 1 0.42343559 0.69157158 0.33875868 1.0 O O34 1 0.92117987 0.83116749 0.53903148 1.0 O O35 1 0.63979779 0.91638344 0.83384825 1.0 O O36 1 0.97034445 0.05719526 0.21676122 1.0 O O37 1 0.75000000 0.84664282 0.17542963 1.0 O O38 1 0.07882013 0.16883251 0.46096852 1.0 O O39 1 0.83804323 0.43735731 0.27625258 1.0 O O40 1 0.07656441 0.69157158 0.33875868 1.0 O O41 1 0.13979779 0.08361656 0.16615175 1.0 F F42 1 0.75000000 0.06056368 0.49290081 1.0 F F43 1 0.25000000 0.93943632 0.50709919 1.0