# generated using pymatgen data_Zr6Co17P12W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61938469 _cell_length_b 10.24467719 _cell_length_c 11.88694119 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Co17P12W _chemical_formula_sum 'Zr6 Co17 P12 W1' _cell_volume 440.76097737 _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 Zr Zr0 1 0.00000000 0.50000000 0.53107259 1.0 Zr Zr1 1 0.50000000 0.00000000 0.47360453 1.0 Zr Zr2 1 0.50000000 0.82289324 0.20871866 1.0 Zr Zr3 1 0.50000000 0.17710676 0.20871866 1.0 Zr Zr4 1 0.00000000 0.67914410 0.79259182 1.0 Zr Zr5 1 0.00000000 0.32085590 0.79259182 1.0 Co Co6 1 0.00000000 0.00000000 0.83739873 1.0 Co Co7 1 0.50000000 0.50000000 0.70248374 1.0 Co Co8 1 0.00000000 0.00000000 0.29662950 1.0 Co Co9 1 0.00000000 0.50000000 0.98848230 1.0 Co Co10 1 0.50000000 0.00000000 0.01282902 1.0 Co Co11 1 0.50000000 0.33196246 0.99062873 1.0 Co Co12 1 0.50000000 0.66803754 0.99062873 1.0 Co Co13 1 0.00000000 0.16648115 0.00491950 1.0 Co Co14 1 0.00000000 0.83351885 0.00491950 1.0 Co Co15 1 0.50000000 0.29914754 0.43293624 1.0 Co Co16 1 0.50000000 0.70085246 0.43293624 1.0 Co Co17 1 0.00000000 0.20120137 0.56697575 1.0 Co Co18 1 0.00000000 0.79879863 0.56697575 1.0 Co Co19 1 0.50000000 0.87676907 0.70675367 1.0 Co Co20 1 0.50000000 0.12323093 0.70675367 1.0 Co Co21 1 0.00000000 0.62484273 0.29378571 1.0 Co Co22 1 0.00000000 0.37515727 0.29378571 1.0 P P23 1 0.50000000 0.50000000 0.87814034 1.0 P P24 1 0.00000000 0.00000000 0.12009927 1.0 P P25 1 0.50000000 0.50000000 0.35798748 1.0 P P26 1 0.00000000 0.00000000 0.64833342 1.0 P P27 1 0.50000000 0.31556970 0.61746525 1.0 P P28 1 0.50000000 0.68443030 0.61746525 1.0 P P29 1 0.00000000 0.18263869 0.38368748 1.0 P P30 1 0.00000000 0.81736131 0.38368748 1.0 P P31 1 0.50000000 0.84649128 0.88815667 1.0 P P32 1 0.50000000 0.15350872 0.88815667 1.0 P P33 1 0.00000000 0.66148922 0.10939189 1.0 P P34 1 0.00000000 0.33851078 0.10939189 1.0 W W35 1 0.50000000 0.50000000 0.16091635 1.0