# generated using pymatgen data_Nd12Ga(IrI4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.92538975 _cell_length_b 10.92538945 _cell_length_c 10.92538981 _cell_angle_alpha 109.93403116 _cell_angle_beta 109.93402633 _cell_angle_gamma 109.93403365 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd12Ga(IrI4)3 _chemical_formula_sum 'Nd12 Ga1 Ir3 I12' _cell_volume 986.31981187 _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 0.46005352 0.48965639 0.22338507 1.0 Nd Nd1 1 0.75000000 0.22964275 0.27035725 1.0 Nd Nd2 1 0.75000000 0.02155874 0.47844126 1.0 Nd Nd3 1 0.22338507 0.46005352 0.48965639 1.0 Nd Nd4 1 0.27035725 0.75000000 0.22964275 1.0 Nd Nd5 1 0.03994648 0.27661493 0.01034361 1.0 Nd Nd6 1 0.01034361 0.03994648 0.27661493 1.0 Nd Nd7 1 0.47844126 0.75000000 0.02155874 1.0 Nd Nd8 1 0.48965639 0.22338507 0.46005352 1.0 Nd Nd9 1 0.02155874 0.47844126 0.75000000 1.0 Nd Nd10 1 0.27661493 0.01034361 0.03994648 1.0 Nd Nd11 1 0.22964275 0.27035725 0.75000000 1.0 Ga Ga12 1 0.25000000 0.25000000 0.25000000 1.0 Ir Ir13 1 0.50090487 0.99909513 0.25000000 1.0 Ir Ir14 1 0.99909513 0.25000000 0.50090487 1.0 Ir Ir15 1 0.25000000 0.50090487 0.99909513 1.0 I I16 1 0.25000000 0.76093507 0.73906493 1.0 I I17 1 0.51584549 0.50467455 0.75368548 1.0 I I18 1 0.98415451 0.74631452 0.99532545 1.0 I I19 1 0.73906493 0.25000000 0.76093507 1.0 I I20 1 0.99532545 0.98415451 0.74631452 1.0 I I21 1 0.25000000 0.99394676 0.50605324 1.0 I I22 1 0.75368548 0.51584549 0.50467455 1.0 I I23 1 0.50605324 0.25000000 0.99394676 1.0 I I24 1 0.76093507 0.73906493 0.25000000 1.0 I I25 1 0.74631452 0.99532545 0.98415451 1.0 I I26 1 0.99394676 0.50605324 0.25000000 1.0 I I27 1 0.50467455 0.75368548 0.51584549 1.0