# generated using pymatgen data_Zr5Co16(TcP4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.76540630 _cell_length_b 11.76540762 _cell_length_c 3.63787841 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999629 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Co16(TcP4)3 _chemical_formula_sum 'Zr5 Co16 Tc3 P12' _cell_volume 436.10667586 _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 0.66666700 0.33333300 0.00000000 1.0 Zr Zr1 1 0.33333300 0.66666700 0.00000000 1.0 Zr Zr2 1 0.81960411 0.81960411 0.50000000 1.0 Zr Zr3 1 0.18039589 0.00000000 0.50000000 1.0 Zr Zr4 1 0.00000000 0.18039589 0.50000000 1.0 Co Co5 1 0.19450959 0.37478951 0.00000000 1.0 Co Co6 1 0.18027992 0.80549041 0.00000000 1.0 Co Co7 1 0.81972008 0.62521049 0.00000000 1.0 Co Co8 1 0.80549041 0.18027992 0.00000000 1.0 Co Co9 1 0.37478951 0.19450959 0.00000000 1.0 Co Co10 1 0.12782471 0.48454796 0.50000000 1.0 Co Co11 1 0.35672326 0.87217529 0.50000000 1.0 Co Co12 1 0.51545204 0.64327674 0.50000000 1.0 Co Co13 1 0.64327674 0.51545204 0.50000000 1.0 Co Co14 1 0.87217529 0.35672326 0.50000000 1.0 Co Co15 1 0.48454796 0.12782471 0.50000000 1.0 Co Co16 1 0.00000000 0.00000000 0.00000000 1.0 Co Co17 1 0.71933298 0.00000000 0.50000000 1.0 Co Co18 1 0.00000000 0.71933298 0.50000000 1.0 Co Co19 1 0.62521049 0.81972008 0.00000000 1.0 Co Co20 1 0.28066702 0.28066702 0.50000000 1.0 Tc Tc21 1 0.44566160 0.44566160 0.00000000 1.0 Tc Tc22 1 0.55433840 0.00000000 0.00000000 1.0 Tc Tc23 1 1.00000000 0.55433840 0.00000000 1.0 P P24 1 0.63990436 0.63990436 0.00000000 1.0 P P25 1 0.36009564 0.00000000 0.00000000 1.0 P P26 1 1.00000000 0.36009564 0.00000000 1.0 P P27 1 0.48031000 0.31355064 0.50000000 1.0 P P28 1 0.68644936 0.16676036 0.50000000 1.0 P P29 1 0.83323964 0.51969000 0.50000000 1.0 P P30 1 0.51969000 0.83323964 0.50000000 1.0 P P31 1 0.16676036 0.68644936 0.50000000 1.0 P P32 1 0.82303746 0.00000000 0.00000000 1.0 P P33 1 0.00000000 0.82303746 0.00000000 1.0 P P34 1 0.31355064 0.48031000 0.50000000 1.0 P P35 1 0.17696254 0.17696254 0.00000000 1.0