# generated using pymatgen data_K(ZrS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34190400 _cell_length_b 7.33898677 _cell_length_c 15.66084564 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K(ZrS2)2 _chemical_formula_sum 'K4 Zr8 S16' _cell_volume 728.90508112 _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 0.34536231 0.00000000 0.00000000 1.0 K K1 1 0.65463769 0.50000000 0.50000000 1.0 K K2 1 0.02707622 0.00000000 0.50000000 1.0 K K3 1 0.97292378 0.50000000 0.00000000 1.0 Zr Zr4 1 0.99999160 0.00000000 0.24799870 1.0 Zr Zr5 1 0.99999160 0.00000000 0.75200130 1.0 Zr Zr6 1 0.00000840 0.50000000 0.25200130 1.0 Zr Zr7 1 0.00000840 0.50000000 0.74799870 1.0 Zr Zr8 1 0.50000000 0.25000000 0.25000000 1.0 Zr Zr9 1 0.50000000 0.75000000 0.75000000 1.0 Zr Zr10 1 0.50000000 0.75000000 0.25000000 1.0 Zr Zr11 1 0.50000000 0.25000000 0.75000000 1.0 S S12 1 0.83472194 0.24811219 0.34626486 1.0 S S13 1 0.83472194 0.75188781 0.65373514 1.0 S S14 1 0.16527806 0.74811219 0.15373514 1.0 S S15 1 0.16527806 0.25188781 0.84626486 1.0 S S16 1 0.16527806 0.25188781 0.15373514 1.0 S S17 1 0.16527806 0.74811219 0.84626486 1.0 S S18 1 0.83472194 0.75188781 0.34626486 1.0 S S19 1 0.83472194 0.24811219 0.65373514 1.0 S S20 1 0.66636655 0.00000000 0.15447994 1.0 S S21 1 0.66636655 0.00000000 0.84552006 1.0 S S22 1 0.33363345 0.50000000 0.34552006 1.0 S S23 1 0.33363345 0.50000000 0.65447994 1.0 S S24 1 0.33508374 0.00000000 0.34380810 1.0 S S25 1 0.33508374 0.00000000 0.65619190 1.0 S S26 1 0.66491626 0.50000000 0.15619190 1.0 S S27 1 0.66491626 0.50000000 0.84380810 1.0