# generated using pymatgen data_Nd4Lu5ScSi8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.34368100 _cell_length_b 7.68245156 _cell_length_c 14.48777468 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.94262415 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4Lu5ScSi8 _chemical_formula_sum 'Nd8 Lu10 Sc2 Si16' _cell_volume 817.36323483 _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 Nd Nd0 1 0.98385322 0.67511626 0.59855541 1.0 Nd Nd1 1 0.01614678 0.32488374 0.40144459 1.0 Nd Nd2 1 0.51446549 0.17666147 0.40183835 1.0 Nd Nd3 1 0.01614678 0.32488374 0.09855541 1.0 Nd Nd4 1 0.48553451 0.82333853 0.59816165 1.0 Nd Nd5 1 0.98385322 0.67511626 0.90144459 1.0 Nd Nd6 1 0.48553451 0.82333853 0.90183835 1.0 Nd Nd7 1 0.51446549 0.17666147 0.09816165 1.0 Lu Lu8 1 0.16091396 0.99195668 0.75000000 1.0 Lu Lu9 1 0.83908604 0.00804332 0.25000000 1.0 Lu Lu10 1 0.32713243 0.32330711 0.62445245 1.0 Lu Lu11 1 0.67286757 0.67669289 0.37554755 1.0 Lu Lu12 1 0.17419981 0.82157584 0.37552083 1.0 Lu Lu13 1 0.67286757 0.67669289 0.12445245 1.0 Lu Lu14 1 0.82580019 0.17842416 0.62447917 1.0 Lu Lu15 1 0.32713243 0.32330711 0.87554755 1.0 Lu Lu16 1 0.82580019 0.17842416 0.87552083 1.0 Lu Lu17 1 0.17419981 0.82157584 0.12447917 1.0 Sc Sc18 1 0.34015648 0.49293334 0.25000000 1.0 Sc Sc19 1 0.65984352 0.50706666 0.75000000 1.0 Si Si20 1 0.02934462 0.38445601 0.75000000 1.0 Si Si21 1 0.97065538 0.61554399 0.25000000 1.0 Si Si22 1 0.46793887 0.88242612 0.25000000 1.0 Si Si23 1 0.53206113 0.11757388 0.75000000 1.0 Si Si24 1 0.28525945 0.62105838 0.75000000 1.0 Si Si25 1 0.71474055 0.37894162 0.25000000 1.0 Si Si26 1 0.21862028 0.12391824 0.25000000 1.0 Si Si27 1 0.78137972 0.87608176 0.75000000 1.0 Si Si28 1 0.15212561 0.03357932 0.53880551 1.0 Si Si29 1 0.84787439 0.96642068 0.46119449 1.0 Si Si30 1 0.34801665 0.53312255 0.46018289 1.0 Si Si31 1 0.84787439 0.96642068 0.03880551 1.0 Si Si32 1 0.65198335 0.46687745 0.53981711 1.0 Si Si33 1 0.15212561 0.03357932 0.96119449 1.0 Si Si34 1 0.65198335 0.46687745 0.96018289 1.0 Si Si35 1 0.34801665 0.53312255 0.03981711 1.0