# generated using pymatgen data_Nd20(AlSi3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.83370619 _cell_length_b 7.83370619 _cell_length_c 14.42861132 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd20(AlSi3)3 _chemical_formula_sum 'Nd20 Al3 Si9' _cell_volume 885.43990795 _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 0.81947721 0.82489752 0.60657658 1.0 Nd Nd1 1 0.18514456 0.82928547 0.11022959 1.0 Nd Nd2 1 0.16676468 0.81095664 0.39336916 1.0 Nd Nd3 1 0.00000000 0.50000000 0.73281061 1.0 Nd Nd4 1 0.83323532 0.18904336 0.39336916 1.0 Nd Nd5 1 0.68904336 0.66676468 0.39336916 1.0 Nd Nd6 1 0.67510248 0.31947721 0.60657658 1.0 Nd Nd7 1 0.32489752 0.68052279 0.60657658 1.0 Nd Nd8 1 0.00000000 0.50000000 0.22674749 1.0 Nd Nd9 1 0.67071453 0.68514456 0.11022959 1.0 Nd Nd10 1 0.68361677 0.32826919 0.88971753 1.0 Nd Nd11 1 0.82826919 0.81638323 0.88971753 1.0 Nd Nd12 1 0.31095664 0.33323532 0.39336916 1.0 Nd Nd13 1 0.18052279 0.17510248 0.60657658 1.0 Nd Nd14 1 0.81485544 0.17071453 0.11022959 1.0 Nd Nd15 1 0.31638323 0.67173081 0.88971753 1.0 Nd Nd16 1 0.32928547 0.31485544 0.11022959 1.0 Nd Nd17 1 0.50000000 0.00000000 0.27317398 1.0 Nd Nd18 1 0.17173081 0.18361677 0.88971753 1.0 Nd Nd19 1 0.50000000 0.00000000 0.76589333 1.0 Al Al20 1 0.50000000 0.00000000 0.49715816 1.0 Al Al21 1 0.50000000 0.00000000 0.99506469 1.0 Al Al22 1 0.00000000 0.50000000 0.00258273 1.0 Si Si23 1 0.61410888 0.38516330 0.25229177 1.0 Si Si24 1 0.11493318 0.88589440 0.74753206 1.0 Si Si25 1 0.38589440 0.38506682 0.74753206 1.0 Si Si26 1 0.38589112 0.61483670 0.25229177 1.0 Si Si27 1 0.88516330 0.88589112 0.25229177 1.0 Si Si28 1 0.61410560 0.61493318 0.74753206 1.0 Si Si29 1 0.00000000 0.50000000 0.50770326 1.0 Si Si30 1 0.88506682 0.11410560 0.74753206 1.0 Si Si31 1 0.11483670 0.11410888 0.25229177 1.0