# generated using pymatgen data_LiTh2(P3Pd10)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63286700 _cell_length_b 8.63372983 _cell_length_c 8.63355847 _cell_angle_alpha 59.99480666 _cell_angle_beta 60.00135859 _cell_angle_gamma 59.99844137 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTh2(P3Pd10)2 _chemical_formula_sum 'Li1 Th2 P6 Pd20' _cell_volume 454.99920283 _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 Li Li0 1 0.00000000 0.00000000 0.00000000 1.0 Th Th1 1 0.24999730 0.25000041 0.24999986 1.0 Th Th2 1 0.75000270 0.74999959 0.75000014 1.0 P P3 1 0.74166858 0.25834050 0.25834096 1.0 P P4 1 0.25833142 0.74165950 0.74165904 1.0 P P5 1 0.25833513 0.74166148 0.25835040 1.0 P P6 1 0.74166487 0.25833852 0.74164960 1.0 P P7 1 0.25833477 0.25834915 0.74166087 1.0 P P8 1 0.74166523 0.74165085 0.25833913 1.0 Pd Pd9 1 0.38521159 0.38522816 0.38522372 1.0 Pd Pd10 1 0.61478841 0.61477184 0.61477628 1.0 Pd Pd11 1 0.38522326 0.38521382 0.84433983 1.0 Pd Pd12 1 0.38520886 0.84433638 0.38522813 1.0 Pd Pd13 1 0.61477674 0.61478618 0.15566017 1.0 Pd Pd14 1 0.61479114 0.15566362 0.61477187 1.0 Pd Pd15 1 0.84433881 0.38522284 0.38521667 1.0 Pd Pd16 1 0.15566119 0.61477716 0.61478333 1.0 Pd Pd17 1 0.34515365 0.99999874 0.99999252 1.0 Pd Pd18 1 0.65484635 0.00000126 0.00000748 1.0 Pd Pd19 1 0.99999785 0.34515949 0.65486249 1.0 Pd Pd20 1 0.00000215 0.65484051 0.34513751 1.0 Pd Pd21 1 0.00000095 0.34512964 0.99999567 1.0 Pd Pd22 1 0.65487719 0.99999119 0.34514356 1.0 Pd Pd23 1 0.99999905 0.65487036 0.00000433 1.0 Pd Pd24 1 0.34512281 0.00000881 0.65485644 1.0 Pd Pd25 1 0.00000907 0.99999748 0.34513796 1.0 Pd Pd26 1 0.99999093 0.00000252 0.65486204 1.0 Pd Pd27 1 0.65483886 0.34514142 0.99998842 1.0 Pd Pd28 1 0.34516114 0.65485858 0.00001158 1.0