# generated using pymatgen data_K3Li2Nb6(PO8)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.52016157 _cell_length_b 8.52016157 _cell_length_c 8.52016120 _cell_angle_alpha 103.22671961 _cell_angle_beta 103.22671961 _cell_angle_gamma 103.22672587 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3Li2Nb6(PO8)3 _chemical_formula_sum 'K3 Li2 Nb6 P3 O24' _cell_volume 559.73481716 _cell_formula_units_Z 1 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 0.40315800 0.08842800 0.68833900 1.0 K K1 1 0.08842800 0.68833900 0.40315800 1.0 K K2 1 0.68833900 0.40315800 0.08842800 1.0 Li Li3 1 0.63373900 0.63373900 0.63373900 1.0 Li Li4 1 0.36629800 0.36629800 0.36629800 1.0 Nb Nb5 1 0.65296800 0.84470400 0.97471200 1.0 Nb Nb6 1 0.97471200 0.65296800 0.84470400 1.0 Nb Nb7 1 0.02380900 0.15473400 0.34545500 1.0 Nb Nb8 1 0.84470400 0.97471200 0.65296800 1.0 Nb Nb9 1 0.34545500 0.02380900 0.15473400 1.0 Nb Nb10 1 0.15473400 0.34545500 0.02380900 1.0 P P11 1 0.28441000 0.50005900 0.71780600 1.0 P P12 1 0.71780600 0.28441000 0.50005900 1.0 P P13 1 0.50005900 0.71780600 0.28441000 1.0 O O14 1 0.02558300 0.50036600 0.97590400 1.0 O O15 1 0.15286900 0.84687000 0.00013000 1.0 O O16 1 0.29742100 0.41633400 0.86274900 1.0 O O17 1 0.79170100 0.68397000 0.93035800 1.0 O O18 1 0.00013000 0.15286900 0.84687000 1.0 O O19 1 0.13780800 0.58148300 0.70321200 1.0 O O20 1 0.45343000 0.63651300 0.75087800 1.0 O O21 1 0.25214500 0.36371200 0.54811000 1.0 O O22 1 0.68397000 0.93035800 0.79170100 1.0 O O23 1 0.70321200 0.13780800 0.58148300 1.0 O O24 1 0.75087800 0.45343000 0.63651300 1.0 O O25 1 0.93035800 0.79170100 0.68397000 1.0 O O26 1 0.97590400 0.02558300 0.50036600 1.0 O O27 1 0.20889400 0.07008600 0.31747500 1.0 O O28 1 0.54811000 0.25214500 0.36371200 1.0 O O29 1 0.86274900 0.29742100 0.41633400 1.0 O O30 1 0.07008600 0.31747500 0.20889400 1.0 O O31 1 0.63651300 0.75087800 0.45343000 1.0 O O32 1 0.36371200 0.54811000 0.25214500 1.0 O O33 1 0.41633400 0.86274900 0.29742100 1.0 O O34 1 0.31747500 0.20889400 0.07008600 1.0 O O35 1 0.58148300 0.70321200 0.13780800 1.0 O O36 1 0.84687000 0.00013000 0.15286900 1.0 O O37 1 0.50036600 0.97590400 0.02558300 1.0