# generated using pymatgen data_Nd3Dy2P12Ru19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.50436481 _cell_length_b 12.50436494 _cell_length_c 3.99356217 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000223 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Dy2P12Ru19 _chemical_formula_sum 'Nd3 Dy2 P12 Ru19' _cell_volume 540.77218790 _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 Nd Nd0 1 0.81597173 0.00000000 0.50000000 1.0 Nd Nd1 1 0.18402827 0.18402827 0.50000000 1.0 Nd Nd2 1 0.00000000 0.81597173 0.50000000 1.0 Dy Dy3 1 0.66666700 0.33333300 0.00000000 1.0 Dy Dy4 1 0.33333300 0.66666700 0.00000000 1.0 P P5 1 0.62564662 1.00000000 0.00000000 1.0 P P6 1 0.37435338 0.37435338 0.00000000 1.0 P P7 1 1.00000000 0.62564662 0.00000000 1.0 P P8 1 0.69599547 0.52199787 0.50000000 1.0 P P9 1 0.82600340 0.30400453 0.50000000 1.0 P P10 1 0.30400453 0.82600340 0.50000000 1.0 P P11 1 0.52199787 0.69599547 0.50000000 1.0 P P12 1 0.18865854 0.00000000 0.00000000 1.0 P P13 1 0.81134146 0.81134146 0.00000000 1.0 P P14 1 0.00000000 0.18865854 0.00000000 1.0 P P15 1 0.47800213 0.17399660 0.50000000 1.0 P P16 1 0.17399660 0.47800213 0.50000000 1.0 Ru Ru17 1 0.61893658 0.80458512 0.00000000 1.0 Ru Ru18 1 0.18564754 0.38106342 0.00000000 1.0 Ru Ru19 1 0.38106342 0.18564754 0.00000000 1.0 Ru Ru20 1 0.19541488 0.81435246 0.00000000 1.0 Ru Ru21 1 0.80458512 0.61893658 0.00000000 1.0 Ru Ru22 1 0.87408568 0.50567459 0.50000000 1.0 Ru Ru23 1 0.49432541 0.36841209 0.50000000 1.0 Ru Ru24 1 0.63158791 0.12591432 0.50000000 1.0 Ru Ru25 1 0.12591432 0.63158791 0.50000000 1.0 Ru Ru26 1 0.36841209 0.49432541 0.50000000 1.0 Ru Ru27 1 0.50567459 0.87408568 0.50000000 1.0 Ru Ru28 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru29 1 0.71350263 0.71350263 0.50000000 1.0 Ru Ru30 1 0.00000000 0.28649737 0.50000000 1.0 Ru Ru31 1 0.44619398 0.00000000 0.00000000 1.0 Ru Ru32 1 0.55380602 0.55380602 0.00000000 1.0 Ru Ru33 1 0.00000000 0.44619398 0.00000000 1.0 Ru Ru34 1 0.81435246 0.19541488 0.00000000 1.0 Ru Ru35 1 0.28649737 0.00000000 0.50000000 1.0