# generated using pymatgen data_Ca2SiPd14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86706125 _cell_length_b 8.86706125 _cell_length_c 7.00320564 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2SiPd14 _chemical_formula_sum 'Ca4 Si2 Pd28' _cell_volume 550.62546938 _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 0.93833709 1.0 Ca Ca1 1 0.00000000 0.50000000 0.06166291 1.0 Ca Ca2 1 0.00000000 0.00000000 0.50000000 1.0 Ca Ca3 1 0.50000000 0.50000000 0.50000000 1.0 Si Si4 1 0.50000000 0.00000000 0.44863846 1.0 Si Si5 1 0.00000000 0.50000000 0.55136154 1.0 Pd Pd6 1 0.33373369 0.83373369 0.61634488 1.0 Pd Pd7 1 0.33373369 0.16626631 0.61634488 1.0 Pd Pd8 1 0.66626631 0.83373369 0.61634488 1.0 Pd Pd9 1 0.66626631 0.16626631 0.61634488 1.0 Pd Pd10 1 0.16626631 0.66626631 0.38365512 1.0 Pd Pd11 1 0.16626631 0.33373369 0.38365512 1.0 Pd Pd12 1 0.83373369 0.66626631 0.38365512 1.0 Pd Pd13 1 0.83373369 0.33373369 0.38365512 1.0 Pd Pd14 1 0.50000000 0.77026186 0.25763184 1.0 Pd Pd15 1 0.50000000 0.22973814 0.25763184 1.0 Pd Pd16 1 0.27026186 0.00000000 0.25763184 1.0 Pd Pd17 1 0.72973814 0.00000000 0.25763184 1.0 Pd Pd18 1 0.00000000 0.72973814 0.74236816 1.0 Pd Pd19 1 0.00000000 0.27026186 0.74236816 1.0 Pd Pd20 1 0.22973814 0.50000000 0.74236816 1.0 Pd Pd21 1 0.77026186 0.50000000 0.74236816 1.0 Pd Pd22 1 0.50000000 0.34836756 0.85667927 1.0 Pd Pd23 1 0.50000000 0.65163244 0.85667927 1.0 Pd Pd24 1 0.84836756 0.00000000 0.85667927 1.0 Pd Pd25 1 0.15163244 0.00000000 0.85667927 1.0 Pd Pd26 1 0.00000000 0.15163244 0.14332073 1.0 Pd Pd27 1 0.00000000 0.84836756 0.14332073 1.0 Pd Pd28 1 0.65163244 0.50000000 0.14332073 1.0 Pd Pd29 1 0.34836756 0.50000000 0.14332073 1.0 Pd Pd30 1 0.25000000 0.75000000 0.00000000 1.0 Pd Pd31 1 0.25000000 0.25000000 0.00000000 1.0 Pd Pd32 1 0.75000000 0.75000000 0.00000000 1.0 Pd Pd33 1 0.75000000 0.25000000 0.00000000 1.0