# generated using pymatgen data_Ba4Ga3Si20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.48044000 _cell_length_b 10.48044000 _cell_length_c 10.48044000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Ga3Si20 _chemical_formula_sum 'Ba8 Ga6 Si40' _cell_volume 1151.16757421 _cell_formula_units_Z 2 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 0.00000000 1.0 Ba Ba1 1 0.50000000 0.50000000 0.50000000 1.0 Ba Ba2 1 0.25000000 0.00000000 0.50000000 1.0 Ba Ba3 1 0.75000000 0.00000000 0.50000000 1.0 Ba Ba4 1 0.50000000 0.25000000 0.00000000 1.0 Ba Ba5 1 0.50000000 0.75000000 0.00000000 1.0 Ba Ba6 1 0.00000000 0.50000000 0.25000000 1.0 Ba Ba7 1 0.00000000 0.50000000 0.75000000 1.0 Ga Ga8 1 0.25000000 0.50000000 0.00000000 1.0 Ga Ga9 1 0.75000000 0.50000000 0.00000000 1.0 Ga Ga10 1 0.00000000 0.25000000 0.50000000 1.0 Ga Ga11 1 0.00000000 0.75000000 0.50000000 1.0 Ga Ga12 1 0.50000000 0.00000000 0.25000000 1.0 Ga Ga13 1 0.50000000 0.00000000 0.75000000 1.0 Si Si14 1 0.00000000 0.11839100 0.30247900 1.0 Si Si15 1 0.00000000 0.88160900 0.69752100 1.0 Si Si16 1 0.00000000 0.88160900 0.30247900 1.0 Si Si17 1 0.00000000 0.11839100 0.69752100 1.0 Si Si18 1 0.30247900 0.00000000 0.11839100 1.0 Si Si19 1 0.61839100 0.50000000 0.19752100 1.0 Si Si20 1 0.69752100 0.00000000 0.88160900 1.0 Si Si21 1 0.38160900 0.50000000 0.80247900 1.0 Si Si22 1 0.30247900 0.00000000 0.88160900 1.0 Si Si23 1 0.38160900 0.50000000 0.19752100 1.0 Si Si24 1 0.69752100 0.00000000 0.11839100 1.0 Si Si25 1 0.61839100 0.50000000 0.80247900 1.0 Si Si26 1 0.11839100 0.30247900 0.00000000 1.0 Si Si27 1 0.50000000 0.80247900 0.38160900 1.0 Si Si28 1 0.88160900 0.69752100 0.00000000 1.0 Si Si29 1 0.50000000 0.19752100 0.61839100 1.0 Si Si30 1 0.11839100 0.69752100 0.00000000 1.0 Si Si31 1 0.50000000 0.19752100 0.38160900 1.0 Si Si32 1 0.88160900 0.30247900 0.00000000 1.0 Si Si33 1 0.50000000 0.80247900 0.61839100 1.0 Si Si34 1 0.19752100 0.61839100 0.50000000 1.0 Si Si35 1 0.80247900 0.38160900 0.50000000 1.0 Si Si36 1 0.19752100 0.38160900 0.50000000 1.0 Si Si37 1 0.80247900 0.61839100 0.50000000 1.0 Si Si38 1 0.18512400 0.18512400 0.18512400 1.0 Si Si39 1 0.81487600 0.81487600 0.81487600 1.0 Si Si40 1 0.81487600 0.81487600 0.18512400 1.0 Si Si41 1 0.81487600 0.18512400 0.81487600 1.0 Si Si42 1 0.68512400 0.68512400 0.31487600 1.0 Si Si43 1 0.18512400 0.18512400 0.81487600 1.0 Si Si44 1 0.18512400 0.81487600 0.18512400 1.0 Si Si45 1 0.31487600 0.31487600 0.68512400 1.0 Si Si46 1 0.18512400 0.81487600 0.81487600 1.0 Si Si47 1 0.31487600 0.31487600 0.31487600 1.0 Si Si48 1 0.81487600 0.18512400 0.18512400 1.0 Si Si49 1 0.68512400 0.68512400 0.68512400 1.0 Si Si50 1 0.68512400 0.31487600 0.68512400 1.0 Si Si51 1 0.31487600 0.68512400 0.31487600 1.0 Si Si52 1 0.31487600 0.68512400 0.68512400 1.0 Si Si53 1 0.68512400 0.31487600 0.31487600 1.0