# generated using pymatgen data_Ca2(Si2Pd7)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.60420974 _cell_length_b 8.60420944 _cell_length_c 8.60420872 _cell_angle_alpha 59.99999904 _cell_angle_beta 60.00000018 _cell_angle_gamma 59.99999682 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2(Si2Pd7)3 _chemical_formula_sum 'Ca2 Si6 Pd21' _cell_volume 450.42022940 _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 0.75000000 1.0 Ca Ca1 1 0.25000000 0.25000000 0.25000000 1.0 Si Si2 1 0.73350748 0.73350748 0.26649252 1.0 Si Si3 1 0.26649252 0.73350748 0.26649252 1.0 Si Si4 1 0.73350748 0.26649252 0.26649252 1.0 Si Si5 1 0.26649252 0.26649252 0.73350748 1.0 Si Si6 1 0.73350748 0.26649252 0.73350748 1.0 Si Si7 1 0.26649252 0.73350748 0.73350748 1.0 Pd Pd8 1 0.00000000 0.00000000 0.00000000 1.0 Pd Pd9 1 0.61537412 0.61537412 0.15387864 1.0 Pd Pd10 1 0.61537412 0.15387864 0.61537412 1.0 Pd Pd11 1 0.15387864 0.61537412 0.61537412 1.0 Pd Pd12 1 0.61537412 0.61537412 0.61537412 1.0 Pd Pd13 1 0.38462588 0.38462588 0.84612136 1.0 Pd Pd14 1 0.38462588 0.84612136 0.38462588 1.0 Pd Pd15 1 0.84612136 0.38462588 0.38462588 1.0 Pd Pd16 1 0.38462588 0.38462588 0.38462588 1.0 Pd Pd17 1 0.00000000 0.00000000 0.34337157 1.0 Pd Pd18 1 0.65662843 0.00000000 0.34337157 1.0 Pd Pd19 1 0.00000000 0.65662843 0.34337157 1.0 Pd Pd20 1 0.65662843 0.34337157 0.00000000 1.0 Pd Pd21 1 0.00000000 0.34337157 0.00000000 1.0 Pd Pd22 1 0.00000000 0.34337157 0.65662843 1.0 Pd Pd23 1 0.34337157 0.65662843 0.00000000 1.0 Pd Pd24 1 0.34337157 0.00000000 0.65662843 1.0 Pd Pd25 1 0.34337157 0.00000000 0.00000000 1.0 Pd Pd26 1 0.00000000 0.00000000 0.65662843 1.0 Pd Pd27 1 0.00000000 0.65662843 0.00000000 1.0 Pd Pd28 1 0.65662843 0.00000000 0.00000000 1.0