# generated using pymatgen data_Zr5Ti3(Co4P3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.84776469 _cell_length_b 11.84776507 _cell_length_c 3.60858533 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999621 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Ti3(Co4P3)4 _chemical_formula_sum 'Zr5 Ti3 Co16 P12' _cell_volume 438.67257287 _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 0.82046299 0.82046299 0.50000000 1.0 Zr Zr3 1 0.17953701 0.00000000 0.50000000 1.0 Zr Zr4 1 0.00000000 0.17953701 0.50000000 1.0 Ti Ti5 1 0.44098600 0.44098600 0.00000000 1.0 Ti Ti6 1 0.55901400 1.00000000 0.00000000 1.0 Ti Ti7 1 1.00000000 0.55901400 0.00000000 1.0 Co Co8 1 0.19573512 0.37542533 0.00000000 1.0 Co Co9 1 0.17969021 0.80426488 0.00000000 1.0 Co Co10 1 0.82030979 0.62457467 0.00000000 1.0 Co Co11 1 0.80426488 0.17969021 0.00000000 1.0 Co Co12 1 0.37542533 0.19573512 0.00000000 1.0 Co Co13 1 0.12607582 0.48254742 0.50000000 1.0 Co Co14 1 0.35647260 0.87392418 0.50000000 1.0 Co Co15 1 0.51745258 0.64352740 0.50000000 1.0 Co Co16 1 0.64352740 0.51745258 0.50000000 1.0 Co Co17 1 0.87392418 0.35647260 0.50000000 1.0 Co Co18 1 0.48254742 0.12607582 0.50000000 1.0 Co Co19 1 0.00000000 0.00000000 0.00000000 1.0 Co Co20 1 0.71850804 0.00000000 0.50000000 1.0 Co Co21 1 0.00000000 0.71850804 0.50000000 1.0 Co Co22 1 0.62457467 0.82030979 0.00000000 1.0 Co Co23 1 0.28149196 0.28149196 0.50000000 1.0 P P24 1 0.64635533 0.64635533 0.00000000 1.0 P P25 1 0.35364467 0.00000000 0.00000000 1.0 P P26 1 0.00000000 0.35364467 0.00000000 1.0 P P27 1 0.48181354 0.31208065 0.50000000 1.0 P P28 1 0.68791935 0.16973189 0.50000000 1.0 P P29 1 0.83026811 0.51818646 0.50000000 1.0 P P30 1 0.51818646 0.83026811 0.50000000 1.0 P P31 1 0.16973189 0.68791935 0.50000000 1.0 P P32 1 0.82320991 0.00000000 0.00000000 1.0 P P33 1 0.00000000 0.82320991 0.00000000 1.0 P P34 1 0.31208065 0.48181354 0.50000000 1.0 P P35 1 0.17679009 0.17679009 0.00000000 1.0