# generated using pymatgen data_Ca2Zr(Si3Pd10)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.62787694 _cell_length_b 8.62787681 _cell_length_c 8.62787785 _cell_angle_alpha 59.99999978 _cell_angle_beta 60.00000027 _cell_angle_gamma 60.00000617 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Zr(Si3Pd10)2 _chemical_formula_sum 'Ca2 Zr1 Si6 Pd20' _cell_volume 454.14745845 _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 0.25000000 0.25000000 0.25000000 1.0 Ca Ca1 1 0.75000000 0.75000000 0.75000000 1.0 Zr Zr2 1 0.00000000 0.00000000 0.00000000 1.0 Si Si3 1 0.73118852 0.26881148 0.26881148 1.0 Si Si4 1 0.26881148 0.73118852 0.73118852 1.0 Si Si5 1 0.26881148 0.73118852 0.26881148 1.0 Si Si6 1 0.73118852 0.26881148 0.73118852 1.0 Si Si7 1 0.26881148 0.26881148 0.73118852 1.0 Si Si8 1 0.73118852 0.73118852 0.26881148 1.0 Pd Pd9 1 0.38430314 0.38430314 0.38430314 1.0 Pd Pd10 1 0.61569686 0.61569686 0.61569686 1.0 Pd Pd11 1 0.38430314 0.38430314 0.84709257 1.0 Pd Pd12 1 0.38430314 0.84709257 0.38430314 1.0 Pd Pd13 1 0.61569686 0.61569686 0.15290743 1.0 Pd Pd14 1 0.61569686 0.15290743 0.61569686 1.0 Pd Pd15 1 0.84709257 0.38430314 0.38430314 1.0 Pd Pd16 1 0.15290743 0.61569686 0.61569686 1.0 Pd Pd17 1 0.34153157 1.00000000 0.00000000 1.0 Pd Pd18 1 0.65846843 0.00000000 1.00000000 1.0 Pd Pd19 1 1.00000000 0.34153157 0.65846843 1.0 Pd Pd20 1 0.00000000 0.65846843 0.34153157 1.0 Pd Pd21 1 1.00000000 0.34153157 0.00000000 1.0 Pd Pd22 1 0.65846843 0.00000000 0.34153157 1.0 Pd Pd23 1 0.00000000 0.65846843 1.00000000 1.0 Pd Pd24 1 0.34153157 1.00000000 0.65846843 1.0 Pd Pd25 1 1.00000000 1.00000000 0.34153157 1.0 Pd Pd26 1 0.00000000 0.00000000 0.65846843 1.0 Pd Pd27 1 0.65846843 0.34153157 0.00000000 1.0 Pd Pd28 1 0.34153157 0.65846843 1.00000000 1.0