# generated using pymatgen data_Lu2Co9P6Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62220390 _cell_length_b 10.19147572 _cell_length_c 11.60487727 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2Co9P6Ru _chemical_formula_sum 'Lu4 Co18 P12 Ru2' _cell_volume 428.40104326 _cell_formula_units_Z 2 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 0.58012822 0.70137223 1.0 Lu Lu1 1 0.25000000 0.91987178 0.20137223 1.0 Lu Lu2 1 0.75000000 0.41391828 0.29587628 1.0 Lu Lu3 1 0.75000000 0.08608172 0.79587628 1.0 Co Co4 1 0.75000000 0.28583544 0.00905284 1.0 Co Co5 1 0.75000000 0.21416456 0.50905284 1.0 Co Co6 1 0.25000000 0.40599231 0.48596967 1.0 Co Co7 1 0.25000000 0.09400769 0.98596967 1.0 Co Co8 1 0.75000000 0.59109804 0.51163819 1.0 Co Co9 1 0.75000000 0.90890196 0.01163819 1.0 Co Co10 1 0.25000000 0.22101452 0.17571545 1.0 Co Co11 1 0.25000000 0.27898548 0.67571545 1.0 Co Co12 1 0.75000000 0.77763624 0.82336285 1.0 Co Co13 1 0.75000000 0.72236376 0.32336285 1.0 Co Co14 1 0.25000000 0.88652774 0.70241686 1.0 Co Co15 1 0.25000000 0.61347226 0.20241686 1.0 Co Co16 1 0.75000000 0.11548744 0.30077514 1.0 Co Co17 1 0.75000000 0.38451256 0.80077514 1.0 Co Co18 1 0.25000000 0.46466706 0.93319998 1.0 Co Co19 1 0.25000000 0.03533294 0.43319998 1.0 Co Co20 1 0.75000000 0.53436098 0.06926024 1.0 Co Co21 1 0.75000000 0.96563902 0.56926024 1.0 P P22 1 0.25000000 0.41820648 0.11442345 1.0 P P23 1 0.25000000 0.08179352 0.61442345 1.0 P P24 1 0.75000000 0.57847149 0.88535288 1.0 P P25 1 0.75000000 0.92152851 0.38535288 1.0 P P26 1 0.25000000 0.26954985 0.86674730 1.0 P P27 1 0.25000000 0.23045015 0.36674730 1.0 P P28 1 0.75000000 0.73142168 0.13423686 1.0 P P29 1 0.75000000 0.76857832 0.63423686 1.0 P P30 1 0.25000000 0.59335675 0.38991417 1.0 P P31 1 0.25000000 0.90664325 0.88991417 1.0 P P32 1 0.75000000 0.39806886 0.60885127 1.0 P P33 1 0.75000000 0.10193114 0.10885127 1.0 Ru Ru34 1 0.25000000 0.71548948 0.99183533 1.0 Ru Ru35 1 0.25000000 0.78451052 0.49183533 1.0