# generated using pymatgen data_Nd3Lu7(Si5Ir2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.57403880 _cell_length_b 12.57403926 _cell_length_c 4.23980147 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.88887507 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Lu7(Si5Ir2)4 _chemical_formula_sum 'Nd3 Lu7 Si20 Ir8' _cell_volume 670.33873070 _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 0.11337357 0.61337357 0.50000000 1.0 Nd Nd1 1 0.38592074 0.11428355 0.50000000 1.0 Nd Nd2 1 0.61428355 0.88592074 0.50000000 1.0 Lu Lu3 1 0.50126300 0.49992796 0.00000000 1.0 Lu Lu4 1 0.99992796 0.00126300 0.00000000 1.0 Lu Lu5 1 0.67634268 0.17634268 0.50000000 1.0 Lu Lu6 1 0.32456904 0.82456904 0.50000000 1.0 Lu Lu7 1 0.17318278 0.32503354 0.50000000 1.0 Lu Lu8 1 0.82503354 0.67318278 0.50000000 1.0 Lu Lu9 1 0.88615611 0.38615611 0.50000000 1.0 Si Si10 1 0.56868788 0.06868788 0.00000000 1.0 Si Si11 1 0.43172714 0.93172714 0.00000000 1.0 Si Si12 1 0.06669149 0.43225933 0.00000000 1.0 Si Si13 1 0.93225933 0.56669149 0.00000000 1.0 Si Si14 1 0.66471723 0.70059418 0.00000000 1.0 Si Si15 1 0.33581150 0.29821371 0.00000000 1.0 Si Si16 1 0.16351319 0.79813346 0.00000000 1.0 Si Si17 1 0.83616090 0.20331645 0.00000000 1.0 Si Si18 1 0.29813346 0.66351319 0.00000000 1.0 Si Si19 1 0.70331645 0.33616090 0.00000000 1.0 Si Si20 1 0.20059418 0.16471723 0.00000000 1.0 Si Si21 1 0.79821371 0.83581150 0.00000000 1.0 Si Si22 1 0.65605716 0.50213151 0.50000000 1.0 Si Si23 1 0.34737664 0.49244532 0.50000000 1.0 Si Si24 1 0.15271075 0.99268512 0.50000000 1.0 Si Si25 1 0.84722775 0.00874104 0.50000000 1.0 Si Si26 1 0.49268512 0.65271075 0.50000000 1.0 Si Si27 1 0.50874104 0.34722775 0.50000000 1.0 Si Si28 1 0.00213151 0.15605716 0.50000000 1.0 Si Si29 1 0.99244532 0.84737664 0.50000000 1.0 Ir Ir30 1 0.74461624 0.52025097 0.00000000 1.0 Ir Ir31 1 0.25864791 0.47663997 0.00000000 1.0 Ir Ir32 1 0.24045647 0.97739595 0.00000000 1.0 Ir Ir33 1 0.75939147 0.02334628 0.00000000 1.0 Ir Ir34 1 0.47739595 0.74045647 0.00000000 1.0 Ir Ir35 1 0.52334628 0.25939147 0.00000000 1.0 Ir Ir36 1 0.02025097 0.24461624 0.00000000 1.0 Ir Ir37 1 0.97663997 0.75864791 0.00000000 1.0