# generated using pymatgen data_Ba6Li2Si4ClO15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77536628 _cell_length_b 5.77536628 _cell_length_c 29.75666600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000325 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba6Li2Si4ClO15 _chemical_formula_sum 'Ba12 Li4 Si8 Cl2 O30' _cell_volume 859.55556045 _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 0.00000000 0.00000000 0.50000000 1.0 Ba Ba2 1 0.00000000 0.00000000 0.85265500 1.0 Ba Ba3 1 0.00000000 0.00000000 0.64734500 1.0 Ba Ba4 1 0.00000000 0.00000000 0.35265500 1.0 Ba Ba5 1 0.00000000 0.00000000 0.14734500 1.0 Ba Ba6 1 0.66666700 0.33333300 0.91549200 1.0 Ba Ba7 1 0.66666700 0.33333300 0.58450800 1.0 Ba Ba8 1 0.33333300 0.66666700 0.41549200 1.0 Ba Ba9 1 0.33333300 0.66666700 0.08450800 1.0 Ba Ba10 1 0.33333300 0.66666700 0.75000000 1.0 Ba Ba11 1 0.66666700 0.33333300 0.25000000 1.0 Li Li12 1 0.33333300 0.66666700 0.85413200 1.0 Li Li13 1 0.33333300 0.66666700 0.64586800 1.0 Li Li14 1 0.66666700 0.33333300 0.35413200 1.0 Li Li15 1 0.66666700 0.33333300 0.14586800 1.0 Si Si16 1 0.33333300 0.66666700 0.94396800 1.0 Si Si17 1 0.33333300 0.66666700 0.55603200 1.0 Si Si18 1 0.66666700 0.33333300 0.44396800 1.0 Si Si19 1 0.66666700 0.33333300 0.05603200 1.0 Si Si20 1 0.66666700 0.33333300 0.80636200 1.0 Si Si21 1 0.66666700 0.33333300 0.69363800 1.0 Si Si22 1 0.33333300 0.66666700 0.30636200 1.0 Si Si23 1 0.33333300 0.66666700 0.19363800 1.0 Cl Cl24 1 0.00000000 0.00000000 0.75000000 1.0 Cl Cl25 1 0.00000000 0.00000000 0.25000000 1.0 O O26 1 0.51259400 0.02518700 0.82581500 1.0 O O27 1 0.97481300 0.48740600 0.82581500 1.0 O O28 1 0.51259400 0.48740600 0.82581500 1.0 O O29 1 0.51259400 0.02518700 0.67418500 1.0 O O30 1 0.97481300 0.48740600 0.67418500 1.0 O O31 1 0.51259400 0.48740600 0.67418500 1.0 O O32 1 0.02518700 0.51259400 0.32581500 1.0 O O33 1 0.48740600 0.97481300 0.32581500 1.0 O O34 1 0.48740600 0.51259400 0.32581500 1.0 O O35 1 0.02518700 0.51259400 0.17418500 1.0 O O36 1 0.48740600 0.97481300 0.17418500 1.0 O O37 1 0.48740600 0.51259400 0.17418500 1.0 O O38 1 0.64179900 0.82090000 0.92390300 1.0 O O39 1 0.17910000 0.82090000 0.92390300 1.0 O O40 1 0.17910000 0.35820100 0.92390300 1.0 O O41 1 0.64179900 0.82090000 0.57609700 1.0 O O42 1 0.17910000 0.82090000 0.57609700 1.0 O O43 1 0.17910000 0.35820100 0.57609700 1.0 O O44 1 0.82090000 0.64179900 0.42390300 1.0 O O45 1 0.82090000 0.17910000 0.42390300 1.0 O O46 1 0.35820100 0.17910000 0.42390300 1.0 O O47 1 0.82090000 0.64179900 0.07609700 1.0 O O48 1 0.82090000 0.17910000 0.07609700 1.0 O O49 1 0.35820100 0.17910000 0.07609700 1.0 O O50 1 0.66666700 0.33333300 0.75000000 1.0 O O51 1 0.33333300 0.66666700 0.25000000 1.0 O O52 1 0.33333300 0.66666700 0.99890600 1.0 O O53 1 0.33333300 0.66666700 0.50109400 1.0 O O54 1 0.66666700 0.33333300 0.49890600 1.0 O O55 1 0.66666700 0.33333300 0.00109400 1.0