# generated using pymatgen data_Nd5S9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.13416053 _cell_length_b 12.13416053 _cell_length_c 9.92942022 _cell_angle_alpha 81.91821085 _cell_angle_beta 81.91821085 _cell_angle_gamma 26.32585770 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5S9 _chemical_formula_sum 'Nd10 S18' _cell_volume 641.56227687 _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 Nd Nd0 1 0.55529600 0.45948900 0.26476700 1.0 Nd Nd1 1 0.35009100 0.25121200 0.65195300 1.0 Nd Nd2 1 0.15581800 0.05395800 0.07164900 1.0 Nd Nd3 1 0.94379500 0.86697300 0.45866900 1.0 Nd Nd4 1 0.76777500 0.63936600 0.86792100 1.0 Nd Nd5 1 0.13302700 0.05620500 0.54133100 1.0 Nd Nd6 1 0.94604200 0.84418200 0.92835100 1.0 Nd Nd7 1 0.74878800 0.64990900 0.34804700 1.0 Nd Nd8 1 0.54051100 0.44470400 0.73523300 1.0 Nd Nd9 1 0.36063400 0.23222500 0.13207900 1.0 S S10 1 0.02530700 0.92736400 0.67890400 1.0 S S11 1 0.42370500 0.32647100 0.87467000 1.0 S S12 1 0.61852100 0.53408800 0.48688100 1.0 S S13 1 0.84250300 0.71661400 0.07779700 1.0 S S14 1 0.22586900 0.12936200 0.28597200 1.0 S S15 1 0.46591200 0.38147900 0.51311900 1.0 S S16 1 0.87063800 0.77413100 0.71402800 1.0 S S17 1 0.07263600 0.97469300 0.32109600 1.0 S S18 1 0.28338600 0.15749700 0.92220300 1.0 S S19 1 0.67352900 0.57629500 0.12533000 1.0 S S20 1 0.29987100 0.70012900 0.00000000 1.0 S S21 1 0.71130000 0.11418100 0.17346200 1.0 S S22 1 0.88581900 0.28870000 0.82653800 1.0 S S23 1 0.11353100 0.50914900 0.37582100 1.0 S S24 1 0.49085100 0.88646900 0.62417900 1.0 S S25 1 0.99280700 0.39659500 0.61183000 1.0 S S26 1 0.79863200 0.20136800 0.00000000 1.0 S S27 1 0.60340500 0.00719300 0.38817000 1.0