# generated using pymatgen data_K(BaB8)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26271597 _cell_length_b 4.26271597 _cell_length_c 17.03014560 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K(BaB8)3 _chemical_formula_sum 'K1 Ba3 B24' _cell_volume 309.45047427 _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 0.00000000 0.00000000 0.24586944 1.0 Ba Ba2 1 0.00000000 0.00000000 0.50000000 1.0 Ba Ba3 1 0.00000000 0.00000000 0.75413056 1.0 B B4 1 0.20293221 0.50000000 0.12356984 1.0 B B5 1 0.20486278 0.50000000 0.37440987 1.0 B B6 1 0.20486278 0.50000000 0.62559013 1.0 B B7 1 0.20293221 0.50000000 0.87643016 1.0 B B8 1 0.50000000 0.50000000 0.19777438 1.0 B B9 1 0.50000000 0.50000000 0.44839975 1.0 B B10 1 0.50000000 0.50000000 0.69970127 1.0 B B11 1 0.50000000 0.50000000 0.95031996 1.0 B B12 1 0.50000000 0.20293221 0.12356984 1.0 B B13 1 0.50000000 0.20486278 0.37440987 1.0 B B14 1 0.50000000 0.20486278 0.62559013 1.0 B B15 1 0.50000000 0.20293221 0.87643016 1.0 B B16 1 0.50000000 0.50000000 0.04968004 1.0 B B17 1 0.50000000 0.50000000 0.30029873 1.0 B B18 1 0.50000000 0.50000000 0.55160025 1.0 B B19 1 0.50000000 0.50000000 0.80222562 1.0 B B20 1 0.50000000 0.79706779 0.12356984 1.0 B B21 1 0.50000000 0.79513722 0.37440987 1.0 B B22 1 0.50000000 0.79513722 0.62559013 1.0 B B23 1 0.50000000 0.79706779 0.87643016 1.0 B B24 1 0.79706779 0.50000000 0.12356984 1.0 B B25 1 0.79513722 0.50000000 0.37440987 1.0 B B26 1 0.79513722 0.50000000 0.62559013 1.0 B B27 1 0.79706779 0.50000000 0.87643016 1.0