# generated using pymatgen data_Ba5LaSi6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88559400 _cell_length_b 17.32973300 _cell_length_c 17.99127900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba5LaSi6 _chemical_formula_sum 'Ba20 La4 Si24' _cell_volume 1523.25033966 _cell_formula_units_Z 4 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 0.25000000 0.06816900 0.30837500 1.0 Ba Ba1 1 0.25000000 0.56816900 0.19162500 1.0 Ba Ba2 1 0.75000000 0.93183100 0.69162500 1.0 Ba Ba3 1 0.75000000 0.43183100 0.80837500 1.0 Ba Ba4 1 0.25000000 0.07724300 0.56510200 1.0 Ba Ba5 1 0.25000000 0.57724300 0.93489800 1.0 Ba Ba6 1 0.75000000 0.92275700 0.43489800 1.0 Ba Ba7 1 0.75000000 0.42275700 0.06510200 1.0 Ba Ba8 1 0.25000000 0.32137700 0.23133500 1.0 Ba Ba9 1 0.25000000 0.82137700 0.26866500 1.0 Ba Ba10 1 0.75000000 0.67862300 0.76866500 1.0 Ba Ba11 1 0.75000000 0.17862300 0.73133500 1.0 Ba Ba12 1 0.25000000 0.34164300 0.63101700 1.0 Ba Ba13 1 0.25000000 0.84164300 0.86898300 1.0 Ba Ba14 1 0.75000000 0.65835700 0.36898300 1.0 Ba Ba15 1 0.75000000 0.15835700 0.13101700 1.0 Ba Ba16 1 0.25000000 0.47038300 0.40694800 1.0 Ba Ba17 1 0.25000000 0.97038300 0.09305200 1.0 Ba Ba18 1 0.75000000 0.52961700 0.59305200 1.0 Ba Ba19 1 0.75000000 0.02961700 0.90694800 1.0 La La20 1 0.25000000 0.25169800 0.43297800 1.0 La La21 1 0.25000000 0.75169800 0.06702200 1.0 La La22 1 0.75000000 0.74830200 0.56702200 1.0 La La23 1 0.75000000 0.24830200 0.93297800 1.0 Si Si24 1 0.25000000 0.04625800 0.77522500 1.0 Si Si25 1 0.25000000 0.54625800 0.72477500 1.0 Si Si26 1 0.75000000 0.95374200 0.22477500 1.0 Si Si27 1 0.75000000 0.45374200 0.27522500 1.0 Si Si28 1 0.25000000 0.14525300 0.99541100 1.0 Si Si29 1 0.25000000 0.64525300 0.50458900 1.0 Si Si30 1 0.75000000 0.85474700 0.00458900 1.0 Si Si31 1 0.75000000 0.35474700 0.49541100 1.0 Si Si32 1 0.25000000 0.15502700 0.85978300 1.0 Si Si33 1 0.25000000 0.65502700 0.64021700 1.0 Si Si34 1 0.75000000 0.84497300 0.14021700 1.0 Si Si35 1 0.75000000 0.34497300 0.35978300 1.0 Si Si36 1 0.25000000 0.28978300 0.82302400 1.0 Si Si37 1 0.25000000 0.78978300 0.67697600 1.0 Si Si38 1 0.75000000 0.71021700 0.17697600 1.0 Si Si39 1 0.75000000 0.21021700 0.32302400 1.0 Si Si40 1 0.25000000 0.36734600 0.93695300 1.0 Si Si41 1 0.25000000 0.86734600 0.56304700 1.0 Si Si42 1 0.75000000 0.63265400 0.06304700 1.0 Si Si43 1 0.75000000 0.13265400 0.43695300 1.0 Si Si44 1 0.25000000 0.77794500 0.45696600 1.0 Si Si45 1 0.25000000 0.27794500 0.04303400 1.0 Si Si46 1 0.75000000 0.22205500 0.54303400 1.0 Si Si47 1 0.75000000 0.72205500 0.95696600 1.0