# generated using pymatgen data_Ca3Tb(SiPd14)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.87022779 _cell_length_b 8.87022779 _cell_length_c 6.99900556 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Tb(SiPd14)2 _chemical_formula_sum 'Ca3 Tb1 Si2 Pd28' _cell_volume 550.68834449 _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 0.50000000 0.00000000 0.93765367 1.0 Ca Ca1 1 0.00000000 0.50000000 0.06234633 1.0 Ca Ca2 1 0.00000000 0.00000000 0.50000000 1.0 Tb Tb3 1 0.50000000 0.50000000 0.50000000 1.0 Si Si4 1 0.50000000 0.00000000 0.44967157 1.0 Si Si5 1 0.00000000 0.50000000 0.55032843 1.0 Pd Pd6 1 0.33371202 0.83338092 0.61588518 1.0 Pd Pd7 1 0.33371202 0.16661908 0.61588518 1.0 Pd Pd8 1 0.66628798 0.83338092 0.61588518 1.0 Pd Pd9 1 0.66628798 0.16661908 0.61588518 1.0 Pd Pd10 1 0.16661908 0.66628798 0.38411482 1.0 Pd Pd11 1 0.16661908 0.33371202 0.38411482 1.0 Pd Pd12 1 0.83338092 0.66628798 0.38411482 1.0 Pd Pd13 1 0.83338092 0.33371202 0.38411482 1.0 Pd Pd14 1 0.50000000 0.76810880 0.26096453 1.0 Pd Pd15 1 0.50000000 0.23189120 0.26096453 1.0 Pd Pd16 1 0.27132980 0.00000000 0.25740591 1.0 Pd Pd17 1 0.72867020 0.00000000 0.25740591 1.0 Pd Pd18 1 0.00000000 0.72867020 0.74259409 1.0 Pd Pd19 1 0.00000000 0.27132980 0.74259409 1.0 Pd Pd20 1 0.23189120 0.50000000 0.73903547 1.0 Pd Pd21 1 0.76810880 0.50000000 0.73903547 1.0 Pd Pd22 1 0.50000000 0.34908121 0.85422770 1.0 Pd Pd23 1 0.50000000 0.65091879 0.85422770 1.0 Pd Pd24 1 0.84824662 0.00000000 0.85673183 1.0 Pd Pd25 1 0.15175338 0.00000000 0.85673183 1.0 Pd Pd26 1 0.00000000 0.15175338 0.14326817 1.0 Pd Pd27 1 0.00000000 0.84824662 0.14326817 1.0 Pd Pd28 1 0.65091879 0.50000000 0.14577230 1.0 Pd Pd29 1 0.34908121 0.50000000 0.14577230 1.0 Pd Pd30 1 0.25035465 0.74964535 0.00000000 1.0 Pd Pd31 1 0.25035465 0.25035465 0.00000000 1.0 Pd Pd32 1 0.74964535 0.74964535 0.00000000 1.0 Pd Pd33 1 0.74964535 0.25035465 0.00000000 1.0