# generated using pymatgen data_KZnP2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13334800 _cell_length_b 10.37671100 _cell_length_c 12.84886600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZnP2O7 _chemical_formula_sum 'K4 Zn4 P8 O28' _cell_volume 684.42399718 _cell_formula_units_Z 4 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 0.99386800 0.26688800 0.00000000 1.0 K K1 1 0.00613200 0.76688800 0.00000000 1.0 K K2 1 0.50111000 0.48699700 0.50000000 1.0 K K3 1 0.49889000 0.98699700 0.50000000 1.0 Zn Zn4 1 0.52481200 0.27266500 0.25180400 1.0 Zn Zn5 1 0.47518800 0.77266500 0.25180400 1.0 Zn Zn6 1 0.47518800 0.77266500 0.74819600 1.0 Zn Zn7 1 0.52481200 0.27266500 0.74819600 1.0 P P8 1 0.47166200 0.02438900 0.11449700 1.0 P P9 1 0.52833800 0.52438900 0.11449700 1.0 P P10 1 0.01586500 0.22270500 0.38665800 1.0 P P11 1 0.98413500 0.72270500 0.38665800 1.0 P P12 1 0.01586500 0.22270500 0.61334200 1.0 P P13 1 0.98413500 0.72270500 0.61334200 1.0 P P14 1 0.47166200 0.02438900 0.88550300 1.0 P P15 1 0.52833800 0.52438900 0.88550300 1.0 O O16 1 0.41953100 0.47958400 0.00000000 1.0 O O17 1 0.58046900 0.97958400 0.00000000 1.0 O O18 1 0.56710500 0.16439200 0.12735700 1.0 O O19 1 0.43289500 0.66439200 0.12735700 1.0 O O20 1 0.17600500 0.01304300 0.11592500 1.0 O O21 1 0.82399500 0.51304300 0.11592500 1.0 O O22 1 0.39622700 0.43302700 0.19129000 1.0 O O23 1 0.60377300 0.93302700 0.19129000 1.0 O O24 1 0.12854400 0.80806900 0.30866200 1.0 O O25 1 0.87145600 0.30806900 0.30866200 1.0 O O26 1 0.08714100 0.58555900 0.38794100 1.0 O O27 1 0.91285900 0.08555900 0.38794100 1.0 O O28 1 0.31479800 0.23025700 0.37422800 1.0 O O29 1 0.68520200 0.73025700 0.37422800 1.0 O O30 1 0.95765300 0.28974800 0.50000000 1.0 O O31 1 0.04234700 0.78974800 0.50000000 1.0 O O32 1 0.31479800 0.23025700 0.62577200 1.0 O O33 1 0.68520200 0.73025700 0.62577200 1.0 O O34 1 0.08714100 0.58555900 0.61205900 1.0 O O35 1 0.91285900 0.08555900 0.61205900 1.0 O O36 1 0.12854400 0.80806900 0.69133800 1.0 O O37 1 0.87145600 0.30806900 0.69133800 1.0 O O38 1 0.39622700 0.43302700 0.80871000 1.0 O O39 1 0.60377300 0.93302700 0.80871000 1.0 O O40 1 0.17600500 0.01304300 0.88407500 1.0 O O41 1 0.82399500 0.51304300 0.88407500 1.0 O O42 1 0.43289500 0.66439200 0.87264300 1.0 O O43 1 0.56710500 0.16439200 0.87264300 1.0