# generated using pymatgen data_Ba3LaB24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24162513 _cell_length_b 4.24162513 _cell_length_c 16.98344814 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3LaB24 _chemical_formula_sum 'Ba3 La1 B24' _cell_volume 305.55573273 _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 Ba Ba0 1 0.00000000 0.00000000 0.24903289 1.0 Ba Ba1 1 0.00000000 0.00000000 0.50000000 1.0 Ba Ba2 1 0.00000000 0.00000000 0.75096711 1.0 La La3 1 0.00000000 0.00000000 0.00000000 1.0 B B4 1 0.20313843 0.50000000 0.12194146 1.0 B B5 1 0.20496264 0.50000000 0.37401280 1.0 B B6 1 0.20496264 0.50000000 0.62598720 1.0 B B7 1 0.20313843 0.50000000 0.87805854 1.0 B B8 1 0.50000000 0.50000000 0.19659438 1.0 B B9 1 0.50000000 0.50000000 0.44805197 1.0 B B10 1 0.50000000 0.50000000 0.70004131 1.0 B B11 1 0.50000000 0.50000000 0.95091849 1.0 B B12 1 0.50000000 0.20313843 0.12194146 1.0 B B13 1 0.50000000 0.20496264 0.37401280 1.0 B B14 1 0.50000000 0.20496264 0.62598720 1.0 B B15 1 0.50000000 0.20313843 0.87805854 1.0 B B16 1 0.50000000 0.50000000 0.04908151 1.0 B B17 1 0.50000000 0.50000000 0.29995869 1.0 B B18 1 0.50000000 0.50000000 0.55194803 1.0 B B19 1 0.50000000 0.50000000 0.80340562 1.0 B B20 1 0.50000000 0.79686157 0.12194146 1.0 B B21 1 0.50000000 0.79503736 0.37401280 1.0 B B22 1 0.50000000 0.79503736 0.62598720 1.0 B B23 1 0.50000000 0.79686157 0.87805854 1.0 B B24 1 0.79686157 0.50000000 0.12194146 1.0 B B25 1 0.79503736 0.50000000 0.37401280 1.0 B B26 1 0.79503736 0.50000000 0.62598720 1.0 B B27 1 0.79686157 0.50000000 0.87805854 1.0