# generated using pymatgen data_Zr6TaCo17P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61192055 _cell_length_b 10.27362329 _cell_length_c 11.92797881 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6TaCo17P12 _chemical_formula_sum 'Zr6 Ta1 Co17 P12' _cell_volume 442.61760604 _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 0.53362475 1.0 Zr Zr1 1 0.50000000 0.00000000 0.47397751 1.0 Zr Zr2 1 0.50000000 0.82409046 0.20837077 1.0 Zr Zr3 1 0.50000000 0.17590954 0.20837077 1.0 Zr Zr4 1 0.00000000 0.67916824 0.79371295 1.0 Zr Zr5 1 0.00000000 0.32083176 0.79371295 1.0 Ta Ta6 1 0.50000000 0.50000000 0.15860124 1.0 Co Co7 1 0.00000000 0.50000000 0.98760572 1.0 Co Co8 1 0.50000000 0.00000000 0.01332565 1.0 Co Co9 1 0.50000000 0.29841858 0.43409730 1.0 Co Co10 1 0.50000000 0.70158142 0.43409730 1.0 Co Co11 1 0.00000000 0.20096189 0.56669765 1.0 Co Co12 1 0.00000000 0.79903811 0.56669765 1.0 Co Co13 1 0.50000000 0.87676944 0.70623305 1.0 Co Co14 1 0.50000000 0.12323056 0.70623305 1.0 Co Co15 1 0.00000000 0.62495414 0.29500456 1.0 Co Co16 1 0.00000000 0.37504586 0.29500456 1.0 Co Co17 1 0.50000000 0.33073850 0.99004291 1.0 Co Co18 1 0.50000000 0.66926150 0.99004291 1.0 Co Co19 1 0.00000000 0.16510869 0.00267492 1.0 Co Co20 1 0.00000000 0.83489131 0.00267492 1.0 Co Co21 1 0.00000000 0.00000000 0.83543722 1.0 Co Co22 1 0.50000000 0.50000000 0.70246343 1.0 Co Co23 1 0.00000000 0.00000000 0.29683863 1.0 P P24 1 0.50000000 0.31486194 0.61839506 1.0 P P25 1 0.50000000 0.68513806 0.61839506 1.0 P P26 1 0.00000000 0.18231210 0.38391025 1.0 P P27 1 0.00000000 0.81768790 0.38391025 1.0 P P28 1 0.50000000 0.50000000 0.87828746 1.0 P P29 1 0.00000000 0.00000000 0.11976354 1.0 P P30 1 0.50000000 0.84817362 0.88706372 1.0 P P31 1 0.50000000 0.15182638 0.88706372 1.0 P P32 1 0.00000000 0.66558692 0.10768836 1.0 P P33 1 0.00000000 0.33441308 0.10768836 1.0 P P34 1 0.50000000 0.50000000 0.36448267 1.0 P P35 1 0.00000000 0.00000000 0.64781318 1.0