# generated using pymatgen data_K2Cu(PO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.25876263 _cell_length_b 8.25876263 _cell_length_c 8.27783930 _cell_angle_alpha 84.06913219 _cell_angle_beta 84.06913219 _cell_angle_gamma 97.04856030 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2Cu(PO3)4 _chemical_formula_sum 'K4 Cu2 P8 O24' _cell_volume 553.47943726 _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 0.79794800 0.54040700 0.90042800 1.0 K K1 1 0.54040700 0.79794800 0.40042800 1.0 K K2 1 0.50126300 0.22643500 0.60993900 1.0 K K3 1 0.22643500 0.50126300 0.10993900 1.0 Cu Cu4 1 0.87478300 0.18729500 0.25360000 1.0 Cu Cu5 1 0.18729500 0.87478300 0.75360000 1.0 P P6 1 0.22547000 0.07453700 0.30752900 1.0 P P7 1 0.07453700 0.22547000 0.80752900 1.0 P P8 1 0.53740700 0.16244900 0.08360800 1.0 P P9 1 0.16244900 0.53740700 0.58360800 1.0 P P10 1 0.53338300 0.85353900 0.91906900 1.0 P P11 1 0.85353900 0.53338300 0.41906900 1.0 P P12 1 0.84097800 0.98460300 0.67856200 1.0 P P13 1 0.98460300 0.84097800 0.17856200 1.0 O O14 1 0.97630000 0.87703100 0.66291300 1.0 O O15 1 0.87703100 0.97630000 0.16291300 1.0 O O16 1 0.74290800 0.01419900 0.53971800 1.0 O O17 1 0.01419900 0.74290800 0.03971800 1.0 O O18 1 0.16181200 0.91155200 0.22749700 1.0 O O19 1 0.91155200 0.16181200 0.72749700 1.0 O O20 1 0.08841300 0.17810000 0.33439900 1.0 O O21 1 0.17810000 0.08841300 0.83439900 1.0 O O22 1 0.31705900 0.02490500 0.44633000 1.0 O O23 1 0.02490500 0.31705900 0.94633000 1.0 O O24 1 0.35073000 0.18021400 0.15761200 1.0 O O25 1 0.18021400 0.35073000 0.65761200 1.0 O O26 1 0.57468000 0.26436100 0.92210600 1.0 O O27 1 0.26436100 0.57468000 0.42210600 1.0 O O28 1 0.68117100 0.51570100 0.49916200 1.0 O O29 1 0.51570100 0.68117100 0.99916200 1.0 O O30 1 0.90258200 0.42561000 0.29015900 1.0 O O31 1 0.42561000 0.90258200 0.79015900 1.0 O O32 1 0.90381700 0.72311200 0.34281400 1.0 O O33 1 0.72311200 0.90381700 0.84281400 1.0 O O34 1 0.96674500 0.52060400 0.56821600 1.0 O O35 1 0.52060400 0.96674500 0.06821600 1.0 O O36 1 0.19334100 0.64355400 0.71924000 1.0 O O37 1 0.64355400 0.19334100 0.21924000 1.0