# generated using pymatgen data_K2NiPCO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.04686000 _cell_length_b 5.42835800 _cell_length_c 9.58949017 _cell_angle_alpha 89.70960305 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2NiPCO7 _chemical_formula_sum 'K4 Ni2 P2 C2 O14' _cell_volume 366.82089416 _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 0.52628400 0.75411900 0.74609500 1.0 K K1 1 0.97371600 0.75411900 0.74609500 1.0 K K2 1 0.47371600 0.24588100 0.25390500 1.0 K K3 1 0.02628400 0.24588100 0.25390500 1.0 Ni Ni4 1 0.25000000 0.22647400 0.64092700 1.0 Ni Ni5 1 0.75000000 0.77352600 0.35907300 1.0 P P6 1 0.75000000 0.28084600 0.57102100 1.0 P P7 1 0.25000000 0.71915400 0.42897900 1.0 C C8 1 0.25000000 0.27201700 0.89803000 1.0 C C9 1 0.75000000 0.72798300 0.10197000 1.0 O O10 1 0.75000000 0.70589000 0.97215300 1.0 O O11 1 0.25000000 0.06042600 0.83518300 1.0 O O12 1 0.25000000 0.45912400 0.81220000 1.0 O O13 1 0.92989000 0.23695900 0.66068600 1.0 O O14 1 0.57011000 0.23695900 0.66068600 1.0 O O15 1 0.25000000 0.88468500 0.55952600 1.0 O O16 1 0.75000000 0.55891400 0.52560200 1.0 O O17 1 0.25000000 0.44108600 0.47439800 1.0 O O18 1 0.75000000 0.11531500 0.44047400 1.0 O O19 1 0.42989000 0.76304100 0.33931400 1.0 O O20 1 0.07011000 0.76304100 0.33931400 1.0 O O21 1 0.75000000 0.54087600 0.18780000 1.0 O O22 1 0.75000000 0.93957400 0.16481700 1.0 O O23 1 0.25000000 0.29411000 0.02784700 1.0