# generated using pymatgen data_CaPr2(YSi2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.48172096 _cell_length_b 7.88599374 _cell_length_c 15.05020022 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPr2(YSi2)2 _chemical_formula_sum 'Ca4 Pr8 Y8 Si16' _cell_volume 887.97392332 _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 0.65283909 0.98685929 0.75000000 1.0 Ca Ca1 1 0.84716091 0.48685929 0.25000000 1.0 Ca Ca2 1 0.34716091 0.01314071 0.25000000 1.0 Ca Ca3 1 0.15283909 0.51314071 0.75000000 1.0 Pr Pr4 1 0.02354873 0.18028673 0.40226698 1.0 Pr Pr5 1 0.52354873 0.31971327 0.40226698 1.0 Pr Pr6 1 0.47645127 0.68028673 0.90226698 1.0 Pr Pr7 1 0.47645127 0.68028673 0.59773302 1.0 Pr Pr8 1 0.97645127 0.81971327 0.59773302 1.0 Pr Pr9 1 0.97645127 0.81971327 0.90226698 1.0 Pr Pr10 1 0.52354873 0.31971327 0.09773302 1.0 Pr Pr11 1 0.02354873 0.18028673 0.09773302 1.0 Y Y12 1 0.32186188 0.18130672 0.62279606 1.0 Y Y13 1 0.67813812 0.81869328 0.37720394 1.0 Y Y14 1 0.17813812 0.68130672 0.37720394 1.0 Y Y15 1 0.82186188 0.31869328 0.87720394 1.0 Y Y16 1 0.82186188 0.31869328 0.62279606 1.0 Y Y17 1 0.32186188 0.18130672 0.87720394 1.0 Y Y18 1 0.17813812 0.68130672 0.12279606 1.0 Y Y19 1 0.67813812 0.81869328 0.12279606 1.0 Si Si20 1 0.26376631 0.88847789 0.75000000 1.0 Si Si21 1 0.46777064 0.60793253 0.25000000 1.0 Si Si22 1 0.03222936 0.10793253 0.75000000 1.0 Si Si23 1 0.53222936 0.39206747 0.75000000 1.0 Si Si24 1 0.14742262 0.46863924 0.53564219 1.0 Si Si25 1 0.96777064 0.89206747 0.25000000 1.0 Si Si26 1 0.73623369 0.11152211 0.25000000 1.0 Si Si27 1 0.85257738 0.53136076 0.03564219 1.0 Si Si28 1 0.35257738 0.96863924 0.03564219 1.0 Si Si29 1 0.14742262 0.46863924 0.96435781 1.0 Si Si30 1 0.64742262 0.03136076 0.53564219 1.0 Si Si31 1 0.35257738 0.96863924 0.46435781 1.0 Si Si32 1 0.85257738 0.53136076 0.46435781 1.0 Si Si33 1 0.76376631 0.61152211 0.75000000 1.0 Si Si34 1 0.23623369 0.38847789 0.25000000 1.0 Si Si35 1 0.64742262 0.03136076 0.96435781 1.0