# generated using pymatgen data_KBa(AsIr)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.17683831 _cell_length_b 7.17683840 _cell_length_c 5.72640714 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 132.96472899 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBa(AsIr)4 _chemical_formula_sum 'K1 Ba1 As4 Ir4' _cell_volume 215.83663904 _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 0.00000000 0.00000000 0.00000000 1.0 Ba Ba1 1 0.50000000 0.50000000 0.50000000 1.0 As As2 1 0.64343040 0.35656960 0.00000000 1.0 As As3 1 0.14548140 0.85451860 0.50000000 1.0 As As4 1 0.85451860 0.14548140 0.50000000 1.0 As As5 1 0.35656960 0.64343040 0.00000000 1.0 Ir Ir6 1 0.50000000 0.00000000 0.75124821 1.0 Ir Ir7 1 0.00000000 0.50000000 0.24875179 1.0 Ir Ir8 1 0.00000000 0.50000000 0.75124821 1.0 Ir Ir9 1 0.50000000 0.00000000 0.24875179 1.0