# generated using pymatgen data_Ba19(InN)9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.05968700 _cell_length_b 10.27859767 _cell_length_c 29.50092075 _cell_angle_alpha 96.90027041 _cell_angle_beta 97.78787696 _cell_angle_gamma 89.95870016 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba19(InN)9 _chemical_formula_sum 'Ba38 In18 N18' _cell_volume 2403.54270719 _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 0.94273000 0.12748000 0.88298700 1.0 Ba Ba1 1 0.28998200 0.18937300 0.12746900 1.0 Ba Ba2 1 0.75334700 0.99611100 0.50466600 1.0 Ba Ba3 1 0.78597400 0.36092900 0.57465700 1.0 Ba Ba4 1 0.86217200 0.30648300 0.71755800 1.0 Ba Ba5 1 0.95319700 0.94652100 0.38097000 1.0 Ba Ba6 1 0.05734100 0.87155000 0.11734700 1.0 Ba Ba7 1 0.33872400 0.95958900 0.23449500 1.0 Ba Ba8 1 0.21283500 0.63901700 0.42513900 1.0 Ba Ba9 1 0.04815300 0.05382600 0.61890200 1.0 Ba Ba10 1 0.98699800 0.32188400 0.46369000 1.0 Ba Ba11 1 0.71043400 0.81025100 0.87223600 1.0 Ba Ba12 1 0.66141500 0.04062300 0.76542600 1.0 Ba Ba13 1 0.82814000 0.79654300 0.65685200 1.0 Ba Ba14 1 0.42870200 0.94409300 0.38061700 1.0 Ba Ba15 1 0.16309800 0.80916300 0.87228200 1.0 Ba Ba16 1 0.22859000 0.99911300 0.00004000 1.0 Ba Ba17 1 0.68023400 0.41835600 0.83714700 1.0 Ba Ba18 1 0.57237900 0.05505100 0.61932200 1.0 Ba Ba19 1 0.83793400 0.19032900 0.12775500 1.0 Ba Ba20 1 0.77111400 0.99977700 0.00005100 1.0 Ba Ba21 1 0.32262500 0.58083400 0.16267200 1.0 Ba Ba22 1 0.88525300 0.67198500 0.77059600 1.0 Ba Ba23 1 0.10666600 0.03757200 0.76492000 1.0 Ba Ba24 1 0.84210800 0.58123900 0.16262100 1.0 Ba Ba25 1 0.02408600 0.37308000 0.04801900 1.0 Ba Ba26 1 0.71474800 0.65039700 0.42638200 1.0 Ba Ba27 1 0.52426400 0.67894400 0.53579800 1.0 Ba Ba28 1 0.01214100 0.67678800 0.53593900 1.0 Ba Ba29 1 0.28617500 0.34973500 0.57310500 1.0 Ba Ba30 1 0.17439500 0.20293900 0.34289800 1.0 Ba Ba31 1 0.16003500 0.41762500 0.83739700 1.0 Ba Ba32 1 0.47613400 0.32352700 0.46373000 1.0 Ba Ba33 1 0.11594300 0.32743400 0.22921900 1.0 Ba Ba34 1 0.24893900 0.00417400 0.49524300 1.0 Ba Ba35 1 0.97563800 0.62619500 0.95174300 1.0 Ba Ba36 1 0.89272600 0.96210400 0.23515700 1.0 Ba Ba37 1 0.13978700 0.69334500 0.28227300 1.0 In In38 1 0.64176700 0.65117700 0.27726500 1.0 In In39 1 0.33200300 0.66647500 0.04453700 1.0 In In40 1 0.66610200 0.22014500 0.33211600 1.0 In In41 1 0.33620500 0.77987000 0.66743800 1.0 In In42 1 0.28720300 0.33200100 0.95547400 1.0 In In43 1 0.71184200 0.66537100 0.04430000 1.0 In In44 1 0.54130000 0.53568100 0.67423900 1.0 In In45 1 0.66773100 0.33408300 0.95499900 1.0 In In46 1 0.13426800 0.53725500 0.67410400 1.0 In In47 1 0.86836500 0.46175600 0.32546200 1.0 In In48 1 0.61912900 0.33930200 0.23567800 1.0 In In49 1 0.38185200 0.66122600 0.76397400 1.0 In In50 1 0.47426800 0.59631300 0.95192900 1.0 In In51 1 0.46031300 0.46425500 0.32547200 1.0 In In52 1 0.36186000 0.34959700 0.72320200 1.0 In In53 1 0.44611700 0.13040500 0.89057900 1.0 In In54 1 0.55505200 0.86668900 0.11018700 1.0 In In55 1 0.52315600 0.40186100 0.04754900 1.0 N N56 1 0.09242000 0.08957100 0.18614900 1.0 N N57 1 0.47370200 0.80889500 0.45385500 1.0 N N58 1 0.90327900 0.25392300 0.80426900 1.0 N N59 1 0.07325500 0.39762800 0.14435700 1.0 N N60 1 0.01806000 0.19098000 0.54591600 1.0 N N61 1 0.52674300 0.18992700 0.54610000 1.0 N N62 1 0.75138000 0.51348200 0.50630200 1.0 N N63 1 0.02898600 0.10830300 0.05872600 1.0 N N64 1 0.98260200 0.80915900 0.45459700 1.0 N N65 1 0.15213400 0.94320200 0.30724600 1.0 N N66 1 0.90709800 0.90989000 0.81382200 1.0 N N67 1 0.24501400 0.48531700 0.49300400 1.0 N N68 1 0.84849900 0.05656100 0.69246500 1.0 N N69 1 0.92897900 0.60141700 0.85540300 1.0 N N70 1 0.09883400 0.74481500 0.19554600 1.0 N N71 1 0.97068600 0.89187800 0.94106800 1.0 N N72 1 0.20972800 0.11634600 0.41937200 1.0 N N73 1 0.79027400 0.88198300 0.58024900 1.0