# generated using pymatgen data_Ca2(SbPd3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.01111101 _cell_length_b 8.01111134 _cell_length_c 9.27003928 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.83972378 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2(SbPd3)3 _chemical_formula_sum 'Ca4 Sb6 Pd18' _cell_volume 516.05604296 _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 0.32812949 0.01736634 0.75000000 1.0 Ca Ca1 1 0.67187051 0.98263366 0.25000000 1.0 Ca Ca2 1 0.01736634 0.32812949 0.75000000 1.0 Ca Ca3 1 0.98263366 0.67187051 0.25000000 1.0 Sb Sb4 1 0.00000000 0.00000000 0.50000000 1.0 Sb Sb5 1 0.67785254 0.32214746 0.00000000 1.0 Sb Sb6 1 0.32214746 0.67785254 0.50000000 1.0 Sb Sb7 1 0.32214746 0.67785254 0.00000000 1.0 Sb Sb8 1 0.00000000 0.00000000 0.00000000 1.0 Sb Sb9 1 0.67785254 0.32214746 0.50000000 1.0 Pd Pd10 1 0.33326999 0.33326999 0.96901933 1.0 Pd Pd11 1 0.44847922 0.64514755 0.75000000 1.0 Pd Pd12 1 0.55152078 0.35485245 0.25000000 1.0 Pd Pd13 1 0.64514755 0.44847922 0.75000000 1.0 Pd Pd14 1 0.00057346 0.33907434 0.07900315 1.0 Pd Pd15 1 0.99942654 0.66092566 0.57900315 1.0 Pd Pd16 1 0.33907434 0.00057346 0.42099685 1.0 Pd Pd17 1 0.66092566 0.99942654 0.92099685 1.0 Pd Pd18 1 0.99942654 0.66092566 0.92099685 1.0 Pd Pd19 1 0.00057346 0.33907434 0.42099685 1.0 Pd Pd20 1 0.66092566 0.99942654 0.57900315 1.0 Pd Pd21 1 0.85869999 0.85869999 0.75000000 1.0 Pd Pd22 1 0.33326999 0.33326999 0.53098067 1.0 Pd Pd23 1 0.66673001 0.66673001 0.03098067 1.0 Pd Pd24 1 0.33907434 0.00057346 0.07900315 1.0 Pd Pd25 1 0.66673001 0.66673001 0.46901933 1.0 Pd Pd26 1 0.14130001 0.14130001 0.25000000 1.0 Pd Pd27 1 0.35485245 0.55152078 0.25000000 1.0