# generated using pymatgen data_KBa(PIr)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02012822 _cell_length_b 7.02012742 _cell_length_c 5.58285956 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 133.11147589 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBa(PIr)4 _chemical_formula_sum 'K1 Ba1 P4 Ir4' _cell_volume 200.85595785 _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 P P2 1 0.64976355 0.35023645 0.00000000 1.0 P P3 1 0.15144941 0.84855059 0.50000000 1.0 P P4 1 0.84855059 0.15144941 0.50000000 1.0 P P5 1 0.35023645 0.64976355 0.00000000 1.0 Ir Ir6 1 0.50000000 0.00000000 0.75077789 1.0 Ir Ir7 1 0.00000000 0.50000000 0.24922211 1.0 Ir Ir8 1 0.00000000 0.50000000 0.75077789 1.0 Ir Ir9 1 0.50000000 0.00000000 0.24922211 1.0