# generated using pymatgen data_Na3Nd5Cl15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.89800500 _cell_length_b 8.91084972 _cell_length_c 14.20145536 _cell_angle_alpha 96.25090899 _cell_angle_beta 96.12177502 _cell_angle_gamma 102.16533048 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Nd5Cl15 _chemical_formula_sum 'Na6 Nd10 Cl30' _cell_volume 1084.41241155 _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 Na Na0 1 0.58492400 0.58609800 0.91388300 1.0 Na Na1 1 0.41507600 0.41390200 0.08611700 1.0 Na Na2 1 0.24873900 0.25050800 0.24944200 1.0 Na Na3 1 0.91376200 0.91478800 0.58592400 1.0 Na Na4 1 0.08623800 0.08521200 0.41407600 1.0 Na Na5 1 0.75126100 0.74949200 0.75055800 1.0 Nd Nd6 1 0.98231700 0.31700000 0.85287300 1.0 Nd Nd7 1 0.21898600 0.88452900 0.94656300 1.0 Nd Nd8 1 0.78101400 0.11547100 0.05343700 1.0 Nd Nd9 1 0.01768300 0.68300000 0.14712700 1.0 Nd Nd10 1 0.58286200 0.91688300 0.24922000 1.0 Nd Nd11 1 0.81492600 0.48268700 0.35085900 1.0 Nd Nd12 1 0.38575300 0.71743500 0.44682200 1.0 Nd Nd13 1 0.61424700 0.28256500 0.55317800 1.0 Nd Nd14 1 0.18507400 0.51731300 0.64914100 1.0 Nd Nd15 1 0.41713800 0.08311700 0.75078000 1.0 Cl Cl16 1 0.25367700 0.56381700 0.85687800 1.0 Cl Cl17 1 0.67123500 0.28722900 0.90651200 1.0 Cl Cl18 1 0.91717300 0.00064400 0.88933000 1.0 Cl Cl19 1 0.06850700 0.36266000 0.06033200 1.0 Cl Cl20 1 0.28456400 0.20814900 0.91188000 1.0 Cl Cl21 1 0.47058100 0.10116200 0.10639500 1.0 Cl Cl22 1 0.52941900 0.89883800 0.89360500 1.0 Cl Cl23 1 0.71543600 0.79185100 0.08812000 1.0 Cl Cl24 1 0.87158900 0.16109000 0.26023700 1.0 Cl Cl25 1 0.93149300 0.63734000 0.93966800 1.0 Cl Cl26 1 0.08282700 0.99935600 0.11067000 1.0 Cl Cl27 1 0.27387200 0.90007400 0.30606800 1.0 Cl Cl28 1 0.32876500 0.71277100 0.09348800 1.0 Cl Cl29 1 0.51126500 0.58548600 0.28298400 1.0 Cl Cl30 1 0.66167700 0.96179200 0.45656300 1.0 Cl Cl31 1 0.74632300 0.43618300 0.14312200 1.0 Cl Cl32 1 0.88542700 0.79948500 0.31358100 1.0 Cl Cl33 1 0.07871300 0.69181500 0.50593900 1.0 Cl Cl34 1 0.12481700 0.51392800 0.29488600 1.0 Cl Cl35 1 0.31314000 0.39177600 0.48437100 1.0 Cl Cl36 1 0.45462700 0.76300800 0.65545100 1.0 Cl Cl37 1 0.54537300 0.23699200 0.34454900 1.0 Cl Cl38 1 0.68686000 0.60822400 0.51562900 1.0 Cl Cl39 1 0.87518300 0.48607200 0.70511400 1.0 Cl Cl40 1 0.92128700 0.30818500 0.49406100 1.0 Cl Cl41 1 0.11457300 0.20051500 0.68641900 1.0 Cl Cl42 1 0.33832300 0.03820800 0.54343700 1.0 Cl Cl43 1 0.48873500 0.41451400 0.71701600 1.0 Cl Cl44 1 0.72612800 0.09992600 0.69393200 1.0 Cl Cl45 1 0.12841100 0.83891000 0.73976300 1.0