# generated using pymatgen data_CaYb3(SbPd3)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.01037778 _cell_length_b 8.01043079 _cell_length_c 9.19306190 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.25103431 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYb3(SbPd3)6 _chemical_formula_sum 'Ca1 Yb3 Sb6 Pd18' _cell_volume 509.56024018 _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 0.32872410 0.01625827 0.75000000 1.0 Yb Yb1 1 0.67149837 0.98293202 0.25000000 1.0 Yb Yb2 1 0.01683627 0.32978986 0.75000000 1.0 Yb Yb3 1 0.98224499 0.66905483 0.25000000 1.0 Sb Sb4 1 0.00089829 0.99962300 0.49983747 1.0 Sb Sb5 1 0.67641332 0.32068087 0.99925063 1.0 Sb Sb6 1 0.32158603 0.67846904 0.50019361 1.0 Sb Sb7 1 0.32158603 0.67846904 0.99980639 1.0 Sb Sb8 1 0.00089829 0.99962300 0.00016253 1.0 Sb Sb9 1 0.67641332 0.32068087 0.50074937 1.0 Pd Pd10 1 0.33219217 0.33356540 0.96830074 1.0 Pd Pd11 1 0.44598702 0.64225392 0.75000000 1.0 Pd Pd12 1 0.55517381 0.35910971 0.25000000 1.0 Pd Pd13 1 0.64426863 0.44960134 0.75000000 1.0 Pd Pd14 1 0.99872074 0.33851372 0.07870459 1.0 Pd Pd15 1 0.99794912 0.65961046 0.57636139 1.0 Pd Pd16 1 0.33913675 0.99870839 0.41551820 1.0 Pd Pd17 1 0.66424085 0.99981903 0.92464831 1.0 Pd Pd18 1 0.99794912 0.65961046 0.92363861 1.0 Pd Pd19 1 0.99872074 0.33851372 0.42129541 1.0 Pd Pd20 1 0.66424085 0.99981903 0.57535169 1.0 Pd Pd21 1 0.85799553 0.85842491 0.75000000 1.0 Pd Pd22 1 0.33219217 0.33356540 0.53169926 1.0 Pd Pd23 1 0.66846035 0.66842656 0.03738661 1.0 Pd Pd24 1 0.33913675 0.99870839 0.08448180 1.0 Pd Pd25 1 0.66846035 0.66842656 0.46261339 1.0 Pd Pd26 1 0.14119238 0.14316585 0.25000000 1.0 Pd Pd27 1 0.35688469 0.55457636 0.25000000 1.0