# generated using pymatgen data_LiZr6Co17P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61917214 _cell_length_b 10.25176049 _cell_length_c 11.82321321 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZr6Co17P12 _chemical_formula_sum 'Li1 Zr6 Co17 P12' _cell_volume 438.67533157 _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 0.15497139 1.0 Zr Zr1 1 0.00000000 0.50000000 0.52527512 1.0 Zr Zr2 1 0.50000000 0.00000000 0.47274925 1.0 Zr Zr3 1 0.50000000 0.82195018 0.20782915 1.0 Zr Zr4 1 0.50000000 0.17804982 0.20782915 1.0 Zr Zr5 1 0.00000000 0.67869015 0.79322658 1.0 Zr Zr6 1 0.00000000 0.32130985 0.79322658 1.0 Co Co7 1 0.00000000 0.00000000 0.83823616 1.0 Co Co8 1 0.50000000 0.50000000 0.70512527 1.0 Co Co9 1 0.00000000 0.00000000 0.29652675 1.0 Co Co10 1 0.00000000 0.50000000 0.98883323 1.0 Co Co11 1 0.50000000 0.00000000 0.01046564 1.0 Co Co12 1 0.50000000 0.33050177 0.99535725 1.0 Co Co13 1 0.50000000 0.66949823 0.99535725 1.0 Co Co14 1 0.00000000 0.16566941 0.00357227 1.0 Co Co15 1 0.00000000 0.83433059 0.00357227 1.0 Co Co16 1 0.50000000 0.29829979 0.43364322 1.0 Co Co17 1 0.50000000 0.70170021 0.43364322 1.0 Co Co18 1 0.00000000 0.20073474 0.56838200 1.0 Co Co19 1 0.00000000 0.79926526 0.56838200 1.0 Co Co20 1 0.50000000 0.87733852 0.70671742 1.0 Co Co21 1 0.50000000 0.12266148 0.70671742 1.0 Co Co22 1 0.00000000 0.62557992 0.29459531 1.0 Co Co23 1 0.00000000 0.37442008 0.29459531 1.0 P P24 1 0.50000000 0.50000000 0.88272064 1.0 P P25 1 0.00000000 0.00000000 0.11935380 1.0 P P26 1 0.50000000 0.50000000 0.35054755 1.0 P P27 1 0.00000000 0.00000000 0.64876381 1.0 P P28 1 0.50000000 0.31671370 0.61743116 1.0 P P29 1 0.50000000 0.68328630 0.61743116 1.0 P P30 1 0.00000000 0.18410859 0.38355207 1.0 P P31 1 0.00000000 0.81589141 0.38355207 1.0 P P32 1 0.50000000 0.84360582 0.88863893 1.0 P P33 1 0.50000000 0.15639418 0.88863893 1.0 P P34 1 0.00000000 0.65910092 0.11026983 1.0 P P35 1 0.00000000 0.34089908 0.11026983 1.0