# generated using pymatgen data_Lu19Sc(Cd3Ni)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.37310308 _cell_length_b 9.37310335 _cell_length_c 9.32811098 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999554 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu19Sc(Cd3Ni)2 _chemical_formula_sum 'Lu19 Sc1 Cd6 Ni2' _cell_volume 709.72671762 _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 Lu Lu0 1 0.00000000 0.00000000 0.00000000 1.0 Lu Lu1 1 0.54296922 0.45703078 0.25012936 1.0 Lu Lu2 1 0.54296922 0.08593844 0.25012936 1.0 Lu Lu3 1 0.91406156 0.45703078 0.25012936 1.0 Lu Lu4 1 0.45703078 0.54296922 0.74987064 1.0 Lu Lu5 1 0.45703078 0.91406156 0.74987064 1.0 Lu Lu6 1 0.08593844 0.54296922 0.74987064 1.0 Lu Lu7 1 0.21003330 0.78996670 0.43654912 1.0 Lu Lu8 1 0.21003330 0.42006760 0.43654912 1.0 Lu Lu9 1 0.57993240 0.78996670 0.43654912 1.0 Lu Lu10 1 0.78996670 0.21003330 0.56345088 1.0 Lu Lu11 1 0.78996670 0.57993240 0.56345088 1.0 Lu Lu12 1 0.42006760 0.21003330 0.56345088 1.0 Lu Lu13 1 0.78916436 0.21083564 0.93730878 1.0 Lu Lu14 1 0.78916436 0.57832772 0.93730878 1.0 Lu Lu15 1 0.42167228 0.21083564 0.93730878 1.0 Lu Lu16 1 0.21083564 0.78916436 0.06269122 1.0 Lu Lu17 1 0.21083564 0.42167228 0.06269122 1.0 Lu Lu18 1 0.57832772 0.78916436 0.06269122 1.0 Sc Sc19 1 0.00000000 0.00000000 0.50000000 1.0 Cd Cd20 1 0.88552346 0.11447654 0.25337140 1.0 Cd Cd21 1 0.88552346 0.77104693 0.25337140 1.0 Cd Cd22 1 0.22895307 0.11447654 0.25337140 1.0 Cd Cd23 1 0.11447654 0.88552346 0.74662860 1.0 Cd Cd24 1 0.11447654 0.22895307 0.74662860 1.0 Cd Cd25 1 0.77104693 0.88552346 0.74662860 1.0 Ni Ni26 1 0.33333300 0.66666700 0.24994445 1.0 Ni Ni27 1 0.66666700 0.33333300 0.75005555 1.0