# generated using pymatgen data_CaNd2(HoSi2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.43252988 _cell_length_b 7.82516549 _cell_length_c 14.92123043 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNd2(HoSi2)2 _chemical_formula_sum 'Ca4 Nd8 Ho8 Si16' _cell_volume 867.83034474 _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 0.65277477 0.98660711 0.25000000 1.0 Ca Ca1 1 0.15277477 0.51339289 0.25000000 1.0 Ca Ca2 1 0.84722523 0.48660711 0.75000000 1.0 Ca Ca3 1 0.34722523 0.01339289 0.75000000 1.0 Nd Nd4 1 0.97717509 0.82018975 0.09703071 1.0 Nd Nd5 1 0.47717509 0.67981025 0.40296929 1.0 Nd Nd6 1 0.52282491 0.32018975 0.90296929 1.0 Nd Nd7 1 0.02282491 0.17981025 0.59703071 1.0 Nd Nd8 1 0.02282491 0.17981025 0.90296929 1.0 Nd Nd9 1 0.52282491 0.32018975 0.59703071 1.0 Nd Nd10 1 0.47717509 0.67981025 0.09703071 1.0 Nd Nd11 1 0.97717509 0.82018975 0.40296929 1.0 Ho Ho12 1 0.67802949 0.81854837 0.87721924 1.0 Ho Ho13 1 0.17802949 0.68145163 0.62278076 1.0 Ho Ho14 1 0.82197051 0.31854837 0.12278076 1.0 Ho Ho15 1 0.32197051 0.18145163 0.37721924 1.0 Ho Ho16 1 0.32197051 0.18145163 0.12278076 1.0 Ho Ho17 1 0.82197051 0.31854837 0.37721924 1.0 Ho Ho18 1 0.17802949 0.68145163 0.87721924 1.0 Ho Ho19 1 0.67802949 0.81854837 0.62278076 1.0 Si Si20 1 0.76392096 0.61146032 0.25000000 1.0 Si Si21 1 0.26392096 0.88853968 0.25000000 1.0 Si Si22 1 0.73607904 0.11146032 0.75000000 1.0 Si Si23 1 0.23607904 0.38853968 0.75000000 1.0 Si Si24 1 0.03189171 0.10909184 0.25000000 1.0 Si Si25 1 0.53189171 0.39090816 0.25000000 1.0 Si Si26 1 0.46810829 0.60909184 0.75000000 1.0 Si Si27 1 0.96810829 0.89090816 0.75000000 1.0 Si Si28 1 0.85143070 0.53153713 0.96431091 1.0 Si Si29 1 0.35143070 0.96846287 0.53568909 1.0 Si Si30 1 0.64856930 0.03153713 0.03568909 1.0 Si Si31 1 0.14856930 0.46846287 0.46431091 1.0 Si Si32 1 0.14856930 0.46846287 0.03568909 1.0 Si Si33 1 0.64856930 0.03153713 0.46431091 1.0 Si Si34 1 0.35143070 0.96846287 0.96431091 1.0 Si Si35 1 0.85143070 0.53153713 0.53568909 1.0