# generated using pymatgen data_KBa(FeAs)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13170472 _cell_length_b 7.13170472 _cell_length_c 5.47902700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 134.81163920 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBa(FeAs)4 _chemical_formula_sum 'K1 Ba1 Fe4 As4' _cell_volume 197.69615182 _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 Fe Fe2 1 0.50000000 0.00000000 0.75004200 1.0 Fe Fe3 1 0.00000000 0.50000000 0.24995800 1.0 Fe Fe4 1 0.00000000 0.50000000 0.75004200 1.0 Fe Fe5 1 0.50000000 0.00000000 0.24995800 1.0 As As6 1 0.65432200 0.34567800 0.00000000 1.0 As As7 1 0.15429300 0.84570700 0.50000000 1.0 As As8 1 0.84570700 0.15429300 0.50000000 1.0 As As9 1 0.34567800 0.65432200 0.00000000 1.0