# generated using pymatgen data_Dy2Th3P12Ru19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.54576276 _cell_length_b 12.54576327 _cell_length_c 3.98465139 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000127 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy2Th3P12Ru19 _chemical_formula_sum 'Dy2 Th3 P12 Ru19' _cell_volume 543.14416354 _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 Dy Dy0 1 0.66666700 0.33333300 0.00000000 1.0 Dy Dy1 1 0.33333300 0.66666700 0.00000000 1.0 Th Th2 1 0.81332828 0.00000000 0.50000000 1.0 Th Th3 1 0.18667172 0.18667172 0.50000000 1.0 Th Th4 1 0.00000000 0.81332828 0.50000000 1.0 P P5 1 0.62270057 1.00000000 0.00000000 1.0 P P6 1 0.37729943 0.37729943 0.00000000 1.0 P P7 1 0.00000000 0.62270057 0.00000000 1.0 P P8 1 0.69549998 0.52078944 0.50000000 1.0 P P9 1 0.82529045 0.30450002 0.50000000 1.0 P P10 1 0.30450002 0.82529045 0.50000000 1.0 P P11 1 0.52078944 0.69549998 0.50000000 1.0 P P12 1 0.18925595 0.00000000 0.00000000 1.0 P P13 1 0.81074405 0.81074405 0.00000000 1.0 P P14 1 1.00000000 0.18925595 0.00000000 1.0 P P15 1 0.47921056 0.17470955 0.50000000 1.0 P P16 1 0.17470955 0.47921056 0.50000000 1.0 Ru Ru17 1 0.62059791 0.80601047 0.00000000 1.0 Ru Ru18 1 0.18541156 0.37940209 0.00000000 1.0 Ru Ru19 1 0.37940209 0.18541156 0.00000000 1.0 Ru Ru20 1 0.19398953 0.81458844 0.00000000 1.0 Ru Ru21 1 0.80601047 0.62059791 0.00000000 1.0 Ru Ru22 1 0.87428506 0.50628461 0.50000000 1.0 Ru Ru23 1 0.49371539 0.36800246 0.50000000 1.0 Ru Ru24 1 0.63199754 0.12571494 0.50000000 1.0 Ru Ru25 1 0.12571494 0.63199754 0.50000000 1.0 Ru Ru26 1 0.36800246 0.49371539 0.50000000 1.0 Ru Ru27 1 0.50628461 0.87428506 0.50000000 1.0 Ru Ru28 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru29 1 0.71337256 0.71337256 0.50000000 1.0 Ru Ru30 1 0.00000000 0.28662744 0.50000000 1.0 Ru Ru31 1 0.44388231 0.00000000 0.00000000 1.0 Ru Ru32 1 0.55611769 0.55611769 0.00000000 1.0 Ru Ru33 1 1.00000000 0.44388231 0.00000000 1.0 Ru Ru34 1 0.81458844 0.19398953 0.00000000 1.0 Ru Ru35 1 0.28662744 0.00000000 0.50000000 1.0