# generated using pymatgen data_KCu4(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.53348600 _cell_length_b 7.92450209 _cell_length_c 9.61166253 _cell_angle_alpha 108.12777238 _cell_angle_beta 112.77590186 _cell_angle_gamma 92.32652412 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCu4(PO4)3 _chemical_formula_sum 'K2 Cu8 P6 O24' _cell_volume 494.24101194 _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 0.69394000 0.86421800 0.67244500 1.0 K K1 1 0.30606000 0.13578200 0.32755500 1.0 Cu Cu2 1 0.73542400 0.10004600 0.09971500 1.0 Cu Cu3 1 0.69351200 0.38205700 0.71423600 1.0 Cu Cu4 1 0.26457600 0.89995400 0.90028500 1.0 Cu Cu5 1 0.30648800 0.61794300 0.28576400 1.0 Cu Cu6 1 0.73601400 0.46818900 0.07688300 1.0 Cu Cu7 1 0.26398600 0.53181100 0.92311700 1.0 Cu Cu8 1 0.02336000 0.79067000 0.45385800 1.0 Cu Cu9 1 0.97664000 0.20933000 0.54614200 1.0 P P10 1 0.29859700 0.55152900 0.61413200 1.0 P P11 1 0.38335800 0.14752100 0.74864200 1.0 P P12 1 0.70140300 0.44847100 0.38586800 1.0 P P13 1 0.97864400 0.74861800 0.05590400 1.0 P P14 1 0.02135600 0.25138200 0.94409600 1.0 P P15 1 0.61664200 0.85247900 0.25135800 1.0 O O16 1 0.81757700 0.57551500 0.94821200 1.0 O O17 1 0.55103600 0.98323500 0.15473200 1.0 O O18 1 0.25049900 0.67632000 0.51045400 1.0 O O19 1 0.89536600 0.92028300 0.06329000 1.0 O O20 1 0.18242300 0.42448500 0.05178800 1.0 O O21 1 0.13326700 0.74461400 0.98286900 1.0 O O22 1 0.44896400 0.01676500 0.84526800 1.0 O O23 1 0.51495700 0.53896500 0.65643400 1.0 O O24 1 0.08294600 0.74086100 0.22970700 1.0 O O25 1 0.40485800 0.33937700 0.86554800 1.0 O O26 1 0.26917300 0.64838200 0.77175600 1.0 O O27 1 0.86673300 0.25538600 0.01713100 1.0 O O28 1 0.51283900 0.15156700 0.65824500 1.0 O O29 1 0.83801100 0.63371000 0.48048300 1.0 O O30 1 0.73082700 0.35161800 0.22824400 1.0 O O31 1 0.83418700 0.93655300 0.37707400 1.0 O O32 1 0.10463400 0.07971700 0.93671000 1.0 O O33 1 0.91705400 0.25913900 0.77029300 1.0 O O34 1 0.16198900 0.36629000 0.51951700 1.0 O O35 1 0.59514200 0.66062300 0.13445200 1.0 O O36 1 0.74950100 0.32368000 0.48954600 1.0 O O37 1 0.48716100 0.84843300 0.34175500 1.0 O O38 1 0.48504300 0.46103500 0.34356600 1.0 O O39 1 0.16581300 0.06344700 0.62292600 1.0