# generated using pymatgen data_CaYb(Cu9Si4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.05207185 _cell_length_b 8.05207111 _cell_length_c 8.05207125 _cell_angle_alpha 120.28527180 _cell_angle_beta 120.28527591 _cell_angle_gamma 89.50659254 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYb(Cu9Si4)2 _chemical_formula_sum 'Ca1 Yb1 Cu18 Si8' _cell_volume 367.54771785 _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 Ca Ca0 1 0.75000000 0.75000000 0.00000000 1.0 Yb Yb1 1 0.25000000 0.25000000 0.00000000 1.0 Cu Cu2 1 0.93622504 0.20350454 0.13841833 1.0 Cu Cu3 1 0.20350454 0.06508622 0.26728050 1.0 Cu Cu4 1 0.79780672 0.93622504 0.73271950 1.0 Cu Cu5 1 0.43491378 0.29649546 0.73271950 1.0 Cu Cu6 1 0.06508622 0.79780672 0.86158167 1.0 Cu Cu7 1 0.80916160 0.05957523 0.50172256 1.0 Cu Cu8 1 0.55785267 0.30743904 0.49827744 1.0 Cu Cu9 1 0.19256096 0.94214733 0.50172256 1.0 Cu Cu10 1 0.44042477 0.69083840 0.49827744 1.0 Cu Cu11 1 0.94214733 0.44042477 0.74958637 1.0 Cu Cu12 1 0.69083840 0.19256096 0.25041363 1.0 Cu Cu13 1 0.05957523 0.55785267 0.25041363 1.0 Cu Cu14 1 0.70219328 0.43491378 0.13841833 1.0 Cu Cu15 1 0.56377496 0.70219328 0.26728050 1.0 Cu Cu16 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu17 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu18 1 0.30743904 0.80916160 0.74958637 1.0 Cu Cu19 1 0.29649546 0.56377496 0.86158167 1.0 Si Si20 1 0.79245687 0.29172581 0.85177911 1.0 Si Si21 1 0.55932224 0.06005430 0.85177911 1.0 Si Si22 1 0.06005430 0.20827419 0.50073206 1.0 Si Si23 1 0.29172581 0.43994570 0.49926794 1.0 Si Si24 1 0.94067776 0.79245687 0.50073206 1.0 Si Si25 1 0.43994570 0.94067776 0.14822089 1.0 Si Si26 1 0.20827419 0.70754313 0.14822089 1.0 Si Si27 1 0.70754313 0.55932224 0.49926794 1.0