# generated using pymatgen data_Nd12Zn(IrI4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.89205559 _cell_length_b 10.89205644 _cell_length_c 10.89205412 _cell_angle_alpha 109.86257824 _cell_angle_beta 109.86257884 _cell_angle_gamma 109.86257653 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd12Zn(IrI4)3 _chemical_formula_sum 'Nd12 Zn1 Ir3 I12' _cell_volume 980.05735494 _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 0.45980937 0.48760093 0.22329139 1.0 Nd Nd1 1 0.75000000 0.22805671 0.27194329 1.0 Nd Nd2 1 0.75000000 0.01953539 0.48046461 1.0 Nd Nd3 1 0.22329139 0.45980937 0.48760093 1.0 Nd Nd4 1 0.27194329 0.75000000 0.22805671 1.0 Nd Nd5 1 0.04019063 0.27670861 0.01239907 1.0 Nd Nd6 1 0.01239907 0.04019063 0.27670861 1.0 Nd Nd7 1 0.48046461 0.75000000 0.01953539 1.0 Nd Nd8 1 0.48760093 0.22329139 0.45980937 1.0 Nd Nd9 1 0.01953539 0.48046461 0.75000000 1.0 Nd Nd10 1 0.27670861 0.01239907 0.04019063 1.0 Nd Nd11 1 0.22805671 0.27194329 0.75000000 1.0 Zn Zn12 1 0.25000000 0.25000000 0.25000000 1.0 Ir Ir13 1 0.50186466 0.99813534 0.25000000 1.0 Ir Ir14 1 0.99813534 0.25000000 0.50186466 1.0 Ir Ir15 1 0.25000000 0.50186466 0.99813534 1.0 I I16 1 0.25000000 0.76123135 0.73876865 1.0 I I17 1 0.51656321 0.50557822 0.75439266 1.0 I I18 1 0.98343679 0.74560734 0.99442178 1.0 I I19 1 0.73876865 0.25000000 0.76123135 1.0 I I20 1 0.99442178 0.98343679 0.74560734 1.0 I I21 1 0.25000000 0.99339530 0.50660470 1.0 I I22 1 0.75439266 0.51656321 0.50557822 1.0 I I23 1 0.50660470 0.25000000 0.99339530 1.0 I I24 1 0.76123135 0.73876865 0.25000000 1.0 I I25 1 0.74560734 0.99442178 0.98343679 1.0 I I26 1 0.99339530 0.50660470 0.25000000 1.0 I I27 1 0.50557822 0.75439266 0.51656321 1.0