# generated using pymatgen data_Ca3Th(SiPd14)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.88857080 _cell_length_b 8.88857080 _cell_length_c 7.02148332 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Th(SiPd14)2 _chemical_formula_sum 'Ca3 Th1 Si2 Pd28' _cell_volume 554.74416235 _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 0.93700210 1.0 Ca Ca1 1 0.00000000 0.50000000 0.06299790 1.0 Ca Ca2 1 0.50000000 0.50000000 0.50000000 1.0 Th Th3 1 0.00000000 0.00000000 0.50000000 1.0 Si Si4 1 0.50000000 0.00000000 0.44986232 1.0 Si Si5 1 0.00000000 0.50000000 0.55013768 1.0 Pd Pd6 1 0.33489403 0.83303153 0.61543722 1.0 Pd Pd7 1 0.33489403 0.16696847 0.61543722 1.0 Pd Pd8 1 0.66510597 0.83303153 0.61543722 1.0 Pd Pd9 1 0.66510597 0.16696847 0.61543722 1.0 Pd Pd10 1 0.16696847 0.66510597 0.38456278 1.0 Pd Pd11 1 0.16696847 0.33489403 0.38456278 1.0 Pd Pd12 1 0.83303153 0.66510597 0.38456278 1.0 Pd Pd13 1 0.83303153 0.33489403 0.38456278 1.0 Pd Pd14 1 0.50000000 0.77137297 0.25756723 1.0 Pd Pd15 1 0.50000000 0.22862703 0.25756723 1.0 Pd Pd16 1 0.26900740 0.00000000 0.25992220 1.0 Pd Pd17 1 0.73099260 0.00000000 0.25992220 1.0 Pd Pd18 1 0.00000000 0.73099260 0.74007780 1.0 Pd Pd19 1 0.00000000 0.26900740 0.74007780 1.0 Pd Pd20 1 0.22862703 0.50000000 0.74243277 1.0 Pd Pd21 1 0.77137297 0.50000000 0.74243277 1.0 Pd Pd22 1 0.50000000 0.34876959 0.85672321 1.0 Pd Pd23 1 0.50000000 0.65123041 0.85672321 1.0 Pd Pd24 1 0.84866386 0.00000000 0.85330956 1.0 Pd Pd25 1 0.15133614 0.00000000 0.85330956 1.0 Pd Pd26 1 0.00000000 0.15133614 0.14669044 1.0 Pd Pd27 1 0.00000000 0.84866386 0.14669044 1.0 Pd Pd28 1 0.65123041 0.50000000 0.14327679 1.0 Pd Pd29 1 0.34876959 0.50000000 0.14327679 1.0 Pd Pd30 1 0.25007134 0.74992866 0.00000000 1.0 Pd Pd31 1 0.25007134 0.25007134 0.00000000 1.0 Pd Pd32 1 0.74992866 0.74992866 0.00000000 1.0 Pd Pd33 1 0.74992866 0.25007134 0.00000000 1.0