# generated using pymatgen data_Nd12Ru3PtCl12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.15173046 _cell_length_b 10.15172977 _cell_length_c 10.12824540 _cell_angle_alpha 109.42436587 _cell_angle_beta 109.42436449 _cell_angle_gamma 109.51803472 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd12Ru3PtCl12 _chemical_formula_sum 'Nd12 Ru3 Pt1 Cl12' _cell_volume 803.97633069 _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 0.25728086 0.74037114 0.23484290 1.0 Nd Nd1 1 0.48308928 0.74037114 0.00552724 1.0 Nd Nd2 1 0.23906643 0.47813385 0.48906643 1.0 Nd Nd3 1 0.01014050 0.02028299 0.26014050 1.0 Nd Nd4 1 0.23906643 0.26093357 0.75000000 1.0 Nd Nd5 1 0.01014050 0.48985950 0.75000000 1.0 Nd Nd6 1 0.48308928 0.24271914 0.47756004 1.0 Nd Nd7 1 0.25728086 0.01691072 0.02243996 1.0 Nd Nd8 1 0.75962886 0.24271914 0.26515710 1.0 Nd Nd9 1 0.75962886 0.01691072 0.49447276 1.0 Nd Nd10 1 0.47971701 0.48985950 0.23985950 1.0 Nd Nd11 1 0.02186615 0.26093357 0.01093357 1.0 Ru Ru12 1 0.24980360 0.49960719 0.99980360 1.0 Ru Ru13 1 0.00039281 0.25019640 0.50019640 1.0 Ru Ru14 1 0.24980360 0.25019640 0.25000000 1.0 Pt Pt15 1 0.50000000 0.00000000 0.25000000 1.0 Cl Cl16 1 0.24898240 0.99657246 0.50081525 1.0 Cl Cl17 1 0.50780421 0.50390260 0.75390260 1.0 Cl Cl18 1 0.24898240 0.75240995 0.74816715 1.0 Cl Cl19 1 0.99635862 0.74818031 0.99818031 1.0 Cl Cl20 1 0.99609740 0.50390260 0.25000000 1.0 Cl Cl21 1 0.74759005 0.99657246 0.99575521 1.0 Cl Cl22 1 0.75181969 0.74818031 0.25000000 1.0 Cl Cl23 1 0.50342754 0.75240995 0.50424479 1.0 Cl Cl24 1 0.50342754 0.25101760 0.99918475 1.0 Cl Cl25 1 0.75181969 0.50364138 0.50181969 1.0 Cl Cl26 1 0.74759005 0.25101760 0.75183285 1.0 Cl Cl27 1 0.99609740 0.99219579 0.74609740 1.0