# generated using pymatgen data_Nd12Ir3PtCl12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.16011169 _cell_length_b 10.20803755 _cell_length_c 10.20803799 _cell_angle_alpha 109.56612974 _cell_angle_beta 109.37614162 _cell_angle_gamma 109.37613881 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd12Ir3PtCl12 _chemical_formula_sum 'Nd12 Ir3 Pt1 Cl12' _cell_volume 815.96102105 _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 Nd Nd0 1 0.47903156 0.48630095 0.24172800 1.0 Nd Nd1 1 0.75000000 0.23933029 0.26066971 1.0 Nd Nd2 1 0.75000000 0.01098502 0.48901498 1.0 Nd Nd3 1 0.23901498 0.47802996 0.48901498 1.0 Nd Nd4 1 0.26269544 0.75542705 0.24172800 1.0 Nd Nd5 1 0.02096844 0.25827200 0.01369905 1.0 Nd Nd6 1 0.01066971 0.02134141 0.26066971 1.0 Nd Nd7 1 0.49273160 0.75542705 0.01369905 1.0 Nd Nd8 1 0.48933029 0.23933029 0.47865859 1.0 Nd Nd9 1 0.00726840 0.48630095 0.74457295 1.0 Nd Nd10 1 0.26098502 0.01098502 0.02197004 1.0 Nd Nd11 1 0.23730456 0.25827200 0.74457295 1.0 Ir Ir12 1 0.25000000 0.24968494 0.25031506 1.0 Ir Ir13 1 0.50031506 0.00062913 0.25031506 1.0 Ir Ir14 1 0.99968494 0.24968494 0.49937087 1.0 Pt Pt15 1 0.25000000 0.50000000 0.00000000 1.0 Cl Cl16 1 0.25000000 0.75079476 0.74920524 1.0 Cl Cl17 1 0.50285941 0.50201788 0.75219047 1.0 Cl Cl18 1 0.99714059 0.74780953 0.99798212 1.0 Cl Cl19 1 0.74933006 0.25017259 0.75219047 1.0 Cl Cl20 1 0.99920524 0.99841149 0.74920524 1.0 Cl Cl21 1 0.25000000 0.99741841 0.50258159 1.0 Cl Cl22 1 0.75258159 0.50516119 0.50258159 1.0 Cl Cl23 1 0.50084253 0.25017259 0.99798212 1.0 Cl Cl24 1 0.75066994 0.74780953 0.24982741 1.0 Cl Cl25 1 0.74741841 0.99741841 0.99483881 1.0 Cl Cl26 1 0.99915747 0.50201788 0.24982741 1.0 Cl Cl27 1 0.50079476 0.75079476 0.50158851 1.0