# generated using pymatgen data_Lu3Sc7Cd3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.07182623 _cell_length_b 9.07164382 _cell_length_c 9.26432472 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00203733 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu3Sc7Cd3Ru _chemical_formula_sum 'Lu6 Sc14 Cd6 Ru2' _cell_volume 660.26183935 _cell_formula_units_Z 2 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 0.53882203 0.46116011 0.25000000 1.0 Lu Lu1 1 0.53884084 0.07766333 0.25000000 1.0 Lu Lu2 1 0.92232901 0.46112789 0.25000000 1.0 Lu Lu3 1 0.46117797 0.53883989 0.75000000 1.0 Lu Lu4 1 0.46115916 0.92233667 0.75000000 1.0 Lu Lu5 1 0.07767099 0.53887211 0.75000000 1.0 Sc Sc6 1 0.00000000 0.00000000 0.50000000 1.0 Sc Sc7 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc8 1 0.21064457 0.78932591 0.44178344 1.0 Sc Sc9 1 0.21068247 0.42135237 0.44182489 1.0 Sc Sc10 1 0.57866058 0.78931931 0.44180860 1.0 Sc Sc11 1 0.78935543 0.21067409 0.55821656 1.0 Sc Sc12 1 0.78931753 0.57864763 0.55817511 1.0 Sc Sc13 1 0.42133942 0.21068069 0.55819140 1.0 Sc Sc14 1 0.78935543 0.21067409 0.94178344 1.0 Sc Sc15 1 0.78931753 0.57864763 0.94182489 1.0 Sc Sc16 1 0.42133942 0.21068069 0.94180860 1.0 Sc Sc17 1 0.21064457 0.78932591 0.05821656 1.0 Sc Sc18 1 0.21068247 0.42135237 0.05817511 1.0 Sc Sc19 1 0.57866058 0.78931931 0.05819140 1.0 Cd Cd20 1 0.88770086 0.11233346 0.25000000 1.0 Cd Cd21 1 0.88766871 0.77533903 0.25000000 1.0 Cd Cd22 1 0.22466239 0.11234452 0.25000000 1.0 Cd Cd23 1 0.11229914 0.88766654 0.75000000 1.0 Cd Cd24 1 0.11233129 0.22466097 0.75000000 1.0 Cd Cd25 1 0.77533761 0.88765548 0.75000000 1.0 Ru Ru26 1 0.33333618 0.66666815 0.25000000 1.0 Ru Ru27 1 0.66666382 0.33333185 0.75000000 1.0