# generated using pymatgen data_Ca2Cu2SiPd12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.72810677 _cell_length_b 8.72810677 _cell_length_c 7.00950297 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Cu2SiPd12 _chemical_formula_sum 'Ca4 Cu4 Si2 Pd24' _cell_volume 533.98286880 _cell_formula_units_Z 2 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 0.50000000 0.00000000 0.93666214 1.0 Ca Ca1 1 0.00000000 0.50000000 0.06333786 1.0 Ca Ca2 1 0.00000000 0.00000000 0.50000000 1.0 Ca Ca3 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu4 1 0.25000000 0.75000000 0.00000000 1.0 Cu Cu5 1 0.25000000 0.25000000 0.00000000 1.0 Cu Cu6 1 0.75000000 0.75000000 0.00000000 1.0 Cu Cu7 1 0.75000000 0.25000000 0.00000000 1.0 Si Si8 1 0.50000000 0.00000000 0.44189999 1.0 Si Si9 1 0.00000000 0.50000000 0.55810001 1.0 Pd Pd10 1 0.33337140 0.83337140 0.61779864 1.0 Pd Pd11 1 0.33337140 0.16662860 0.61779864 1.0 Pd Pd12 1 0.66662860 0.83337140 0.61779864 1.0 Pd Pd13 1 0.66662860 0.16662860 0.61779864 1.0 Pd Pd14 1 0.16662860 0.66662860 0.38220136 1.0 Pd Pd15 1 0.16662860 0.33337140 0.38220136 1.0 Pd Pd16 1 0.83337140 0.66662860 0.38220136 1.0 Pd Pd17 1 0.83337140 0.33337140 0.38220136 1.0 Pd Pd18 1 0.50000000 0.76734544 0.25185961 1.0 Pd Pd19 1 0.50000000 0.23265456 0.25185961 1.0 Pd Pd20 1 0.26734544 0.00000000 0.25185961 1.0 Pd Pd21 1 0.73265456 0.00000000 0.25185961 1.0 Pd Pd22 1 0.00000000 0.73265456 0.74814039 1.0 Pd Pd23 1 0.00000000 0.26734544 0.74814039 1.0 Pd Pd24 1 0.23265456 0.50000000 0.74814039 1.0 Pd Pd25 1 0.76734544 0.50000000 0.74814039 1.0 Pd Pd26 1 0.50000000 0.34158976 0.86541566 1.0 Pd Pd27 1 0.50000000 0.65841024 0.86541566 1.0 Pd Pd28 1 0.84158976 0.00000000 0.86541566 1.0 Pd Pd29 1 0.15841024 0.00000000 0.86541566 1.0 Pd Pd30 1 0.00000000 0.15841024 0.13458434 1.0 Pd Pd31 1 0.00000000 0.84158976 0.13458434 1.0 Pd Pd32 1 0.65841024 0.50000000 0.13458434 1.0 Pd Pd33 1 0.34158976 0.50000000 0.13458434 1.0