# generated using pymatgen data_Nd3Ho2P12Ru19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.49946222 _cell_length_b 12.49946240 _cell_length_c 3.99280949 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999693 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Ho2P12Ru19 _chemical_formula_sum 'Nd3 Ho2 P12 Ru19' _cell_volume 540.24641846 _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 1.00000000 0.18416427 0.50000000 1.0 Nd Nd1 1 0.81583573 0.81583573 0.50000000 1.0 Nd Nd2 1 0.18416427 1.00000000 0.50000000 1.0 Ho Ho3 1 0.66666700 0.33333300 0.00000000 1.0 Ho Ho4 1 0.33333300 0.66666700 0.00000000 1.0 P P5 1 0.00000000 0.81120731 0.00000000 1.0 P P6 1 0.18879269 0.18879269 0.00000000 1.0 P P7 1 0.81120731 0.00000000 0.00000000 1.0 P P8 1 0.69602938 0.17437298 0.50000000 1.0 P P9 1 0.82562702 0.52165640 0.50000000 1.0 P P10 1 0.47834360 0.30397062 0.50000000 1.0 P P11 1 0.17437298 0.69602938 0.50000000 1.0 P P12 1 0.52165640 0.82562702 0.50000000 1.0 P P13 1 0.30397062 0.47834360 0.50000000 1.0 P P14 1 1.00000000 0.37422157 0.00000000 1.0 P P15 1 0.62577843 0.62577843 0.00000000 1.0 P P16 1 0.37422157 1.00000000 0.00000000 1.0 Ru Ru17 1 0.00000000 0.55365961 0.00000000 1.0 Ru Ru18 1 0.44634039 0.44634039 0.00000000 1.0 Ru Ru19 1 0.55365961 0.00000000 0.00000000 1.0 Ru Ru20 1 0.00000000 0.71309850 0.50000000 1.0 Ru Ru21 1 0.28690150 0.28690150 0.50000000 1.0 Ru Ru22 1 0.71309850 0.00000000 0.50000000 1.0 Ru Ru23 1 0.80425198 0.18569962 0.00000000 1.0 Ru Ru24 1 0.81430038 0.61855236 0.00000000 1.0 Ru Ru25 1 0.38144764 0.19574802 0.00000000 1.0 Ru Ru26 1 0.18569962 0.80425198 0.00000000 1.0 Ru Ru27 1 0.61855236 0.81430038 0.00000000 1.0 Ru Ru28 1 0.19574802 0.38144764 0.00000000 1.0 Ru Ru29 1 0.87387816 0.36844943 0.50000000 1.0 Ru Ru30 1 0.63155057 0.50542874 0.50000000 1.0 Ru Ru31 1 0.49457126 0.12612184 0.50000000 1.0 Ru Ru32 1 0.36844943 0.87387816 0.50000000 1.0 Ru Ru33 1 0.50542874 0.63155057 0.50000000 1.0 Ru Ru34 1 0.12612184 0.49457126 0.50000000 1.0 Ru Ru35 1 0.00000000 0.00000000 0.00000000 1.0