# generated using pymatgen data_HfZr6Co17P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62240396 _cell_length_b 10.30335965 _cell_length_c 11.93976936 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr6Co17P12 _chemical_formula_sum 'Hf1 Zr6 Co17 P12' _cell_volume 445.62718573 _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 Hf Hf0 1 0.50000000 0.50000000 0.15756431 1.0 Zr Zr1 1 0.00000000 0.50000000 0.53426376 1.0 Zr Zr2 1 0.50000000 0.00000000 0.47343539 1.0 Zr Zr3 1 0.50000000 0.82640750 0.20781350 1.0 Zr Zr4 1 0.50000000 0.17359250 0.20781350 1.0 Zr Zr5 1 0.00000000 0.67752094 0.79418479 1.0 Zr Zr6 1 0.00000000 0.32247906 0.79418479 1.0 Co Co7 1 0.00000000 0.50000000 0.98703144 1.0 Co Co8 1 0.50000000 0.00000000 0.00974214 1.0 Co Co9 1 0.50000000 0.29712395 0.43552924 1.0 Co Co10 1 0.50000000 0.70287605 0.43552924 1.0 Co Co11 1 0.00000000 0.20025354 0.56749033 1.0 Co Co12 1 0.00000000 0.79974646 0.56749033 1.0 Co Co13 1 0.50000000 0.87757123 0.70611393 1.0 Co Co14 1 0.50000000 0.12242877 0.70611393 1.0 Co Co15 1 0.00000000 0.62553772 0.29634507 1.0 Co Co16 1 0.00000000 0.37446228 0.29634507 1.0 Co Co17 1 0.50000000 0.32879351 0.98945716 1.0 Co Co18 1 0.50000000 0.67120649 0.98945716 1.0 Co Co19 1 0.00000000 0.16377352 0.00117005 1.0 Co Co20 1 0.00000000 0.83622648 0.00117005 1.0 Co Co21 1 0.00000000 0.00000000 0.83723432 1.0 Co Co22 1 0.50000000 0.50000000 0.70261221 1.0 Co Co23 1 0.00000000 0.00000000 0.29666011 1.0 P P24 1 0.50000000 0.31457651 0.61893530 1.0 P P25 1 0.50000000 0.68542349 0.61893530 1.0 P P26 1 0.00000000 0.18266597 0.38415116 1.0 P P27 1 0.00000000 0.81733403 0.38415116 1.0 P P28 1 0.50000000 0.50000000 0.87898136 1.0 P P29 1 0.00000000 0.00000000 0.11894065 1.0 P P30 1 0.50000000 0.84684173 0.88592582 1.0 P P31 1 0.50000000 0.15315827 0.88592582 1.0 P P32 1 0.00000000 0.66811310 0.10687908 1.0 P P33 1 0.00000000 0.33188690 0.10687908 1.0 P P34 1 0.50000000 0.50000000 0.36794734 1.0 P P35 1 0.00000000 0.00000000 0.64759612 1.0