# generated using pymatgen data_CaNd2(YSi2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.83610308 _cell_length_b 7.83610308 _cell_length_c 14.29477686 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNd2(YSi2)2 _chemical_formula_sum 'Ca4 Nd8 Y8 Si16' _cell_volume 877.76378908 _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 Ca Ca0 1 0.31454210 0.31454210 0.50000000 1.0 Ca Ca1 1 0.18545790 0.81454210 0.75000000 1.0 Ca Ca2 1 0.81454210 0.18545790 0.25000000 1.0 Ca Ca3 1 0.68545790 0.68545790 0.00000000 1.0 Nd Nd4 1 0.63689953 0.99109111 0.45850607 1.0 Nd Nd5 1 0.36310047 0.00890889 0.95850607 1.0 Nd Nd6 1 0.99109111 0.63689953 0.54149393 1.0 Nd Nd7 1 0.49109111 0.86310047 0.20850607 1.0 Nd Nd8 1 0.50890889 0.13689953 0.70850607 1.0 Nd Nd9 1 0.86310047 0.49109111 0.79149393 1.0 Nd Nd10 1 0.13689953 0.50890889 0.29149393 1.0 Nd Nd11 1 0.00890889 0.36310047 0.04149393 1.0 Y Y12 1 0.49355309 0.36602973 0.12290116 1.0 Y Y13 1 0.99355309 0.13397027 0.62709884 1.0 Y Y14 1 0.86602973 0.00644691 0.87290116 1.0 Y Y15 1 0.13397027 0.99355309 0.37290116 1.0 Y Y16 1 0.50644691 0.63397027 0.62290116 1.0 Y Y17 1 0.36602973 0.49355309 0.87709884 1.0 Y Y18 1 0.63397027 0.50644691 0.37709884 1.0 Y Y19 1 0.00644691 0.86602973 0.12709884 1.0 Si Si20 1 0.28914282 0.92592244 0.55752895 1.0 Si Si21 1 0.71085718 0.07407756 0.05752895 1.0 Si Si22 1 0.92592244 0.28914282 0.44247105 1.0 Si Si23 1 0.42592244 0.21085718 0.30752895 1.0 Si Si24 1 0.57407756 0.78914282 0.80752895 1.0 Si Si25 1 0.21085718 0.42592244 0.69247105 1.0 Si Si26 1 0.78914282 0.57407756 0.19247105 1.0 Si Si27 1 0.07407756 0.71085718 0.94247105 1.0 Si Si28 1 0.78847880 0.84706261 0.68585564 1.0 Si Si29 1 0.21152120 0.15293739 0.18585564 1.0 Si Si30 1 0.84706261 0.78847880 0.31414436 1.0 Si Si31 1 0.34706261 0.71152120 0.43585564 1.0 Si Si32 1 0.65293739 0.28847880 0.93585564 1.0 Si Si33 1 0.71152120 0.34706261 0.56414436 1.0 Si Si34 1 0.28847880 0.65293739 0.06414436 1.0 Si Si35 1 0.15293739 0.21152120 0.81414436 1.0