# generated using pymatgen data_LiNb3InCl9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.40361100 _cell_length_b 9.46056372 _cell_length_c 9.47128885 _cell_angle_alpha 119.24998046 _cell_angle_beta 104.87970663 _cell_angle_gamma 96.80534116 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNb3InCl9 _chemical_formula_sum 'Li2 Nb6 In2 Cl18' _cell_volume 680.12404400 _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 Li Li0 1 0.61797100 0.85931500 0.18870700 1.0 Li Li1 1 0.38202900 0.14068500 0.81129300 1.0 Nb Nb2 1 0.13946800 0.32471400 0.24666300 1.0 Nb Nb3 1 0.86053200 0.67528600 0.75333700 1.0 Nb Nb4 1 0.13225100 0.45284400 0.89241300 1.0 Nb Nb5 1 0.85781400 0.32073800 0.97879700 1.0 Nb Nb6 1 0.86774900 0.54715600 0.10758700 1.0 Nb Nb7 1 0.14218600 0.67926200 0.02120300 1.0 In In8 1 0.34302100 0.78371400 0.48431700 1.0 In In9 1 0.65697900 0.21628600 0.51568300 1.0 Cl Cl10 1 0.00274100 0.91779800 0.73431900 1.0 Cl Cl11 1 0.67989100 0.76407900 0.83409200 1.0 Cl Cl12 1 0.33258600 0.90547000 0.05708700 1.0 Cl Cl13 1 0.98779400 0.23228900 0.84946100 1.0 Cl Cl14 1 0.00817500 0.34690700 0.41608200 1.0 Cl Cl15 1 0.67003200 0.89752400 0.43917700 1.0 Cl Cl16 1 0.32223600 0.65505400 0.90032300 1.0 Cl Cl17 1 0.32010900 0.23592100 0.16590800 1.0 Cl Cl18 1 0.29989100 0.40241600 0.75211500 1.0 Cl Cl19 1 0.99725900 0.08220200 0.26568100 1.0 Cl Cl20 1 0.67776400 0.34494600 0.09967700 1.0 Cl Cl21 1 0.66921000 0.49485200 0.68169500 1.0 Cl Cl22 1 0.70010900 0.59758400 0.24788500 1.0 Cl Cl23 1 0.01220600 0.76771100 0.15053900 1.0 Cl Cl24 1 0.99182500 0.65309300 0.58391800 1.0 Cl Cl25 1 0.32996800 0.10247600 0.56082300 1.0 Cl Cl26 1 0.66741400 0.09453000 0.94291300 1.0 Cl Cl27 1 0.33079000 0.50514800 0.31830500 1.0