# generated using pymatgen data_K2BaThB24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.27235004 _cell_length_b 7.27234946 _cell_length_c 5.93283223 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.38859447 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2BaThB24 _chemical_formula_sum 'K2 Ba1 Th1 B24' _cell_volume 295.97582679 _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 0.75208575 0.24791425 0.50000000 1.0 K K1 1 0.24791425 0.75208575 0.50000000 1.0 Ba Ba2 1 0.00000000 0.00000000 0.00000000 1.0 Th Th3 1 0.50000000 0.50000000 0.00000000 1.0 B B4 1 0.17859988 0.32822815 0.64719153 1.0 B B5 1 0.92468544 0.57177369 0.14969172 1.0 B B6 1 0.67177185 0.82140012 0.64719153 1.0 B B7 1 0.42822631 0.07531456 0.14969172 1.0 B B8 1 0.17859988 0.32822815 0.35280847 1.0 B B9 1 0.92468544 0.57177369 0.85030828 1.0 B B10 1 0.67177185 0.82140012 0.35280847 1.0 B B11 1 0.42822631 0.07531456 0.85030828 1.0 B B12 1 0.40023584 0.40023584 0.50000000 1.0 B B13 1 0.14711936 0.64955142 0.00000000 1.0 B B14 1 0.89610815 0.89610815 0.50000000 1.0 B B15 1 0.64955142 0.14711936 0.00000000 1.0 B B16 1 0.32822815 0.17859988 0.64719153 1.0 B B17 1 0.07531456 0.42822631 0.14969172 1.0 B B18 1 0.82140012 0.67177185 0.64719153 1.0 B B19 1 0.57177369 0.92468544 0.14969172 1.0 B B20 1 0.10389185 0.10389185 0.50000000 1.0 B B21 1 0.85288064 0.35044858 0.00000000 1.0 B B22 1 0.59976416 0.59976416 0.50000000 1.0 B B23 1 0.35044858 0.85288064 0.00000000 1.0 B B24 1 0.32822815 0.17859988 0.35280847 1.0 B B25 1 0.07531456 0.42822631 0.85030828 1.0 B B26 1 0.82140012 0.67177185 0.35280847 1.0 B B27 1 0.57177369 0.92468544 0.85030828 1.0