# generated using pymatgen data_LuCo2(PRu)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75192873 _cell_length_b 10.49094990 _cell_length_c 11.94692918 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuCo2(PRu)3 _chemical_formula_sum 'Lu4 Co8 P12 Ru12' _cell_volume 470.24662042 _cell_formula_units_Z 4 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 Lu Lu0 1 0.25000000 0.58449330 0.70670385 1.0 Lu Lu1 1 0.25000000 0.91550670 0.20670385 1.0 Lu Lu2 1 0.75000000 0.41550670 0.29329615 1.0 Lu Lu3 1 0.75000000 0.08449330 0.79329615 1.0 Co Co4 1 0.25000000 0.88839559 0.69716439 1.0 Co Co5 1 0.25000000 0.61160441 0.19716439 1.0 Co Co6 1 0.75000000 0.11160441 0.30283561 1.0 Co Co7 1 0.75000000 0.38839559 0.80283561 1.0 Co Co8 1 0.25000000 0.46248623 0.93371622 1.0 Co Co9 1 0.25000000 0.03751377 0.43371622 1.0 Co Co10 1 0.75000000 0.53751377 0.06628378 1.0 Co Co11 1 0.75000000 0.96248623 0.56628378 1.0 P P12 1 0.25000000 0.42641822 0.11332220 1.0 P P13 1 0.25000000 0.07358178 0.61332220 1.0 P P14 1 0.75000000 0.57358178 0.88667780 1.0 P P15 1 0.75000000 0.92641822 0.38667780 1.0 P P16 1 0.25000000 0.26988751 0.87167204 1.0 P P17 1 0.25000000 0.23011249 0.37167204 1.0 P P18 1 0.75000000 0.73011249 0.12832796 1.0 P P19 1 0.75000000 0.76988751 0.62832796 1.0 P P20 1 0.25000000 0.60069662 0.38590660 1.0 P P21 1 0.25000000 0.89930338 0.88590660 1.0 P P22 1 0.75000000 0.39930338 0.61409340 1.0 P P23 1 0.75000000 0.10069662 0.11409340 1.0 Ru Ru24 1 0.25000000 0.70596895 0.98725005 1.0 Ru Ru25 1 0.25000000 0.79403105 0.48725005 1.0 Ru Ru26 1 0.75000000 0.29403105 0.01274995 1.0 Ru Ru27 1 0.75000000 0.20596895 0.51274995 1.0 Ru Ru28 1 0.25000000 0.40586818 0.48510470 1.0 Ru Ru29 1 0.25000000 0.09413182 0.98510470 1.0 Ru Ru30 1 0.75000000 0.59413182 0.51489530 1.0 Ru Ru31 1 0.75000000 0.90586818 0.01489530 1.0 Ru Ru32 1 0.25000000 0.22499199 0.18134808 1.0 Ru Ru33 1 0.25000000 0.27500801 0.68134808 1.0 Ru Ru34 1 0.75000000 0.77500801 0.81865192 1.0 Ru Ru35 1 0.75000000 0.72499199 0.31865192 1.0