# generated using pymatgen data_LiLu6Co17P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64322653 _cell_length_b 10.39035992 _cell_length_c 11.99364461 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLu6Co17P12 _chemical_formula_sum 'Li1 Lu6 Co17 P12' _cell_volume 454.01263916 _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 Li Li0 1 0.50000000 0.50000000 0.15301220 1.0 Lu Lu1 1 0.00000000 0.50000000 0.52694859 1.0 Lu Lu2 1 0.50000000 0.00000000 0.47747863 1.0 Lu Lu3 1 0.50000000 0.81977273 0.20630113 1.0 Lu Lu4 1 0.50000000 0.18022727 0.20630113 1.0 Lu Lu5 1 0.00000000 0.68186522 0.79460278 1.0 Lu Lu6 1 0.00000000 0.31813478 0.79460278 1.0 Co Co7 1 0.00000000 0.00000000 0.84143880 1.0 Co Co8 1 0.50000000 0.50000000 0.70410351 1.0 Co Co9 1 0.00000000 0.00000000 0.29614644 1.0 Co Co10 1 0.00000000 0.50000000 0.98621206 1.0 Co Co11 1 0.50000000 0.00000000 0.01215266 1.0 Co Co12 1 0.50000000 0.33074209 0.99522811 1.0 Co Co13 1 0.50000000 0.66925791 0.99522811 1.0 Co Co14 1 0.00000000 0.16462918 0.00282128 1.0 Co Co15 1 0.00000000 0.83537082 0.00282128 1.0 Co Co16 1 0.50000000 0.29597863 0.43139596 1.0 Co Co17 1 0.50000000 0.70402137 0.43139596 1.0 Co Co18 1 0.00000000 0.20279012 0.56902249 1.0 Co Co19 1 0.00000000 0.79720988 0.56902249 1.0 Co Co20 1 0.50000000 0.87898850 0.70816858 1.0 Co Co21 1 0.50000000 0.12101150 0.70816858 1.0 Co Co22 1 0.00000000 0.62024052 0.29353279 1.0 Co Co23 1 0.00000000 0.37975948 0.29353279 1.0 P P24 1 0.50000000 0.50000000 0.88325235 1.0 P P25 1 0.00000000 0.00000000 0.11784934 1.0 P P26 1 0.50000000 0.50000000 0.35122213 1.0 P P27 1 0.00000000 0.00000000 0.65373439 1.0 P P28 1 0.50000000 0.31191444 0.61700475 1.0 P P29 1 0.50000000 0.68808556 0.61700475 1.0 P P30 1 0.00000000 0.18643845 0.38436823 1.0 P P31 1 0.00000000 0.81356155 0.38436823 1.0 P P32 1 0.50000000 0.84603963 0.89056568 1.0 P P33 1 0.50000000 0.15396037 0.89056568 1.0 P P34 1 0.00000000 0.65913428 0.10521265 1.0 P P35 1 0.00000000 0.34086572 0.10521265 1.0