# generated using pymatgen data_La3PdI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.02725489 _cell_length_b 11.02725515 _cell_length_c 11.02725473 _cell_angle_alpha 109.47122169 _cell_angle_beta 109.47122217 _cell_angle_gamma 109.47121862 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3PdI3 _chemical_formula_sum 'La12 Pd4 I12' _cell_volume 1032.23920475 _cell_formula_units_Z 4 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 La La0 1 0.46336619 0.48168410 0.23168410 1.0 La La1 1 0.75000000 0.23168410 0.26831590 1.0 La La2 1 0.75000000 0.01831590 0.48168410 1.0 La La3 1 0.23168410 0.46336619 0.48168410 1.0 La La4 1 0.26831590 0.75000000 0.23168410 1.0 La La5 1 0.03663381 0.26831590 0.01831590 1.0 La La6 1 0.01831590 0.03663381 0.26831590 1.0 La La7 1 0.48168410 0.75000000 0.01831590 1.0 La La8 1 0.48168410 0.23168410 0.46336619 1.0 La La9 1 0.01831590 0.48168410 0.75000000 1.0 La La10 1 0.26831590 0.01831590 0.03663381 1.0 La La11 1 0.23168410 0.26831590 0.75000000 1.0 Pd Pd12 1 0.25000000 0.25000000 0.25000000 1.0 Pd Pd13 1 0.50000000 0.00000000 0.25000000 1.0 Pd Pd14 1 0.00000000 0.25000000 0.50000000 1.0 Pd Pd15 1 0.25000000 0.50000000 0.00000000 1.0 I I16 1 0.25000000 0.76036743 0.73963257 1.0 I I17 1 0.52073686 0.51036743 0.76036743 1.0 I I18 1 0.97926314 0.73963257 0.98963257 1.0 I I19 1 0.73963257 0.25000000 0.76036743 1.0 I I20 1 0.98963257 0.97926314 0.73963257 1.0 I I21 1 0.25000000 0.98963257 0.51036743 1.0 I I22 1 0.76036743 0.52073686 0.51036743 1.0 I I23 1 0.51036743 0.25000000 0.98963257 1.0 I I24 1 0.76036743 0.73963257 0.25000000 1.0 I I25 1 0.73963257 0.98963257 0.97926314 1.0 I I26 1 0.98963257 0.51036743 0.25000000 1.0 I I27 1 0.51036743 0.76036743 0.52073686 1.0