# generated using pymatgen data_Nd5Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.80102335 _cell_length_b 7.95758222 _cell_length_c 15.19293123 _cell_angle_alpha 89.99983348 _cell_angle_beta 90.00056848 _cell_angle_gamma 89.99989718 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5Si4 _chemical_formula_sum 'Nd20 Si16' _cell_volume 943.13591749 _cell_formula_units_Z 4 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 0.13655241 0.50905675 0.75001482 1.0 Nd Nd1 1 0.81030857 0.31854825 0.87860477 1.0 Nd Nd2 1 0.45934573 0.68720403 0.60089476 1.0 Nd Nd3 1 0.95935596 0.81277571 0.60089688 1.0 Nd Nd4 1 0.18967670 0.68148904 0.37864028 1.0 Nd Nd5 1 0.68969692 0.81849833 0.37863886 1.0 Nd Nd6 1 0.31030154 0.18146916 0.62140525 1.0 Nd Nd7 1 0.18968867 0.68148272 0.12135112 1.0 Nd Nd8 1 0.04062858 0.18717470 0.39916872 1.0 Nd Nd9 1 0.31029384 0.18146224 0.87860440 1.0 Nd Nd10 1 0.86346303 0.49104076 0.24998366 1.0 Nd Nd11 1 0.36345105 0.00895526 0.24998368 1.0 Nd Nd12 1 0.54063519 0.31284334 0.10081896 1.0 Nd Nd13 1 0.81032088 0.31854323 0.62140590 1.0 Nd Nd14 1 0.95935351 0.81277666 0.89911310 1.0 Nd Nd15 1 0.45934345 0.68720309 0.89911438 1.0 Nd Nd16 1 0.04062763 0.18717323 0.10081946 1.0 Nd Nd17 1 0.68970975 0.81850720 0.12135103 1.0 Nd Nd18 1 0.63656301 0.99095252 0.75001465 1.0 Nd Nd19 1 0.54063618 0.31284036 0.39917070 1.0 Si Si20 1 0.48244982 0.59602602 0.24998378 1.0 Si Si21 1 0.25523075 0.37949227 0.24998943 1.0 Si Si22 1 0.86740301 0.52431317 0.04081745 1.0 Si Si23 1 0.51753800 0.40404859 0.75001558 1.0 Si Si24 1 0.63262020 0.02431127 0.54087953 1.0 Si Si25 1 0.01753955 0.09595706 0.75001586 1.0 Si Si26 1 0.74476486 0.62054693 0.75001297 1.0 Si Si27 1 0.75524437 0.12051593 0.24998713 1.0 Si Si28 1 0.36740112 0.97568532 0.04081767 1.0 Si Si29 1 0.98245252 0.90397079 0.24998372 1.0 Si Si30 1 0.36739700 0.97568812 0.45918098 1.0 Si Si31 1 0.63261731 0.02431084 0.95912400 1.0 Si Si32 1 0.13261438 0.47568984 0.54088108 1.0 Si Si33 1 0.13261298 0.47568919 0.95911957 1.0 Si Si34 1 0.86740444 0.52431247 0.45918042 1.0 Si Si35 1 0.24475207 0.87944562 0.75001543 1.0