# generated using pymatgen data_Ba9Sm6Cl34 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.49228580 _cell_length_b 13.49228580 _cell_length_c 13.49228580 _cell_angle_alpha 130.23414193 _cell_angle_beta 130.23414193 _cell_angle_gamma 73.03272700 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba9Sm6Cl34 _chemical_formula_sum 'Ba9 Sm6 Cl34' _cell_volume 1397.92491196 _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 0.79369900 0.97435100 0.45295300 1.0 Ba Ba1 1 0.02564900 0.47860100 0.81934700 1.0 Ba Ba2 1 0.65925400 0.20630100 0.18065300 1.0 Ba Ba3 1 0.20630100 0.02564900 0.54704700 1.0 Ba Ba4 1 0.47860100 0.65925400 0.45295300 1.0 Ba Ba5 1 0.97435100 0.52139900 0.18065300 1.0 Ba Ba6 1 0.50000000 0.50000000 0.00000000 1.0 Ba Ba7 1 0.34074600 0.79369900 0.81934700 1.0 Ba Ba8 1 0.52139900 0.34074600 0.54704700 1.0 Sm Sm9 1 0.81414000 0.81414000 0.00000000 1.0 Sm Sm10 1 0.68069800 0.10611400 0.78681200 1.0 Sm Sm11 1 0.31930200 0.89388600 0.21318800 1.0 Sm Sm12 1 0.18586000 0.18586000 0.00000000 1.0 Sm Sm13 1 0.10611400 0.31930200 0.42541600 1.0 Sm Sm14 1 0.89388600 0.68069800 0.57458400 1.0 Cl Cl15 1 0.55012100 0.65241500 0.72060400 1.0 Cl Cl16 1 0.92430400 0.42430400 0.50000000 1.0 Cl Cl17 1 0.07569600 0.57569600 0.50000000 1.0 Cl Cl18 1 0.33171100 0.63442800 0.12595800 1.0 Cl Cl19 1 0.14067500 0.72294700 0.86362100 1.0 Cl Cl20 1 0.44987900 0.34758500 0.27939600 1.0 Cl Cl21 1 0.72294700 0.85932500 0.58227200 1.0 Cl Cl22 1 0.33029200 0.05085200 0.13929700 1.0 Cl Cl23 1 0.65241500 0.93181100 0.10229500 1.0 Cl Cl24 1 0.91155500 0.19099500 0.86070300 1.0 Cl Cl25 1 0.17048300 0.44987900 0.10229500 1.0 Cl Cl26 1 0.34758500 0.06818900 0.89770500 1.0 Cl Cl27 1 0.57569600 0.07569600 0.50000000 1.0 Cl Cl28 1 0.49153000 0.79424600 0.12595800 1.0 Cl Cl29 1 0.94914800 0.08844500 0.27944000 1.0 Cl Cl30 1 0.66828900 0.36557200 0.87404200 1.0 Cl Cl31 1 0.19099500 0.33029200 0.27944000 1.0 Cl Cl32 1 0.42430400 0.92430400 0.50000000 1.0 Cl Cl33 1 0.27705300 0.14067500 0.41772800 1.0 Cl Cl34 1 0.05085200 0.91155500 0.72056000 1.0 Cl Cl35 1 0.25000000 0.75000000 0.50000000 1.0 Cl Cl36 1 0.06818900 0.17048300 0.72060400 1.0 Cl Cl37 1 0.50847000 0.20575400 0.87404200 1.0 Cl Cl38 1 0.20575400 0.33171100 0.69728300 1.0 Cl Cl39 1 0.80900500 0.66970800 0.72056000 1.0 Cl Cl40 1 0.85932500 0.27705300 0.13637900 1.0 Cl Cl41 1 0.08844500 0.80900500 0.13929700 1.0 Cl Cl42 1 0.79424600 0.66828900 0.30271700 1.0 Cl Cl43 1 0.66970800 0.94914800 0.86070300 1.0 Cl Cl44 1 0.36557200 0.49153000 0.69728300 1.0 Cl Cl45 1 0.63442800 0.50847000 0.30271700 1.0 Cl Cl46 1 0.82951700 0.55012100 0.89770500 1.0 Cl Cl47 1 0.93181100 0.82951700 0.27939600 1.0 Cl Cl48 1 0.75000000 0.25000000 0.50000000 1.0