# generated using pymatgen data_Zr3Fe(Co4P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61337831 _cell_length_b 10.23842711 _cell_length_c 11.83755505 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Fe(Co4P3)2 _chemical_formula_sum 'Zr6 Fe2 Co16 P12' _cell_volume 437.93402384 _cell_formula_units_Z 2 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 0.52622176 1.0 Zr Zr1 1 0.50000000 0.00000000 0.47377824 1.0 Zr Zr2 1 0.50000000 0.82154657 0.20722142 1.0 Zr Zr3 1 0.50000000 0.17845343 0.20722142 1.0 Zr Zr4 1 0.00000000 0.67845343 0.79277858 1.0 Zr Zr5 1 0.00000000 0.32154657 0.79277858 1.0 Fe Fe6 1 0.50000000 0.50000000 0.16120958 1.0 Fe Fe7 1 0.00000000 0.00000000 0.83879042 1.0 Co Co8 1 0.00000000 0.50000000 0.98772749 1.0 Co Co9 1 0.50000000 0.00000000 0.01227251 1.0 Co Co10 1 0.50000000 0.29907468 0.43257600 1.0 Co Co11 1 0.50000000 0.70092532 0.43257600 1.0 Co Co12 1 0.00000000 0.20092532 0.56742400 1.0 Co Co13 1 0.00000000 0.79907468 0.56742400 1.0 Co Co14 1 0.50000000 0.87571864 0.70696306 1.0 Co Co15 1 0.50000000 0.12428136 0.70696306 1.0 Co Co16 1 0.00000000 0.62428136 0.29303694 1.0 Co Co17 1 0.00000000 0.37571864 0.29303694 1.0 Co Co18 1 0.50000000 0.33283331 0.99482113 1.0 Co Co19 1 0.50000000 0.66716669 0.99482113 1.0 Co Co20 1 0.00000000 0.16716669 0.00517887 1.0 Co Co21 1 0.00000000 0.83283331 0.00517887 1.0 Co Co22 1 0.50000000 0.50000000 0.70303489 1.0 Co Co23 1 0.00000000 0.00000000 0.29696511 1.0 P P24 1 0.50000000 0.31614433 0.61691672 1.0 P P25 1 0.50000000 0.68385567 0.61691672 1.0 P P26 1 0.00000000 0.18385567 0.38308328 1.0 P P27 1 0.00000000 0.81614433 0.38308328 1.0 P P28 1 0.50000000 0.50000000 0.87996999 1.0 P P29 1 0.00000000 0.00000000 0.12003001 1.0 P P30 1 0.50000000 0.84351208 0.88943365 1.0 P P31 1 0.50000000 0.15648792 0.88943365 1.0 P P32 1 0.00000000 0.65648792 0.11056635 1.0 P P33 1 0.00000000 0.34351208 0.11056635 1.0 P P34 1 0.50000000 0.50000000 0.35034103 1.0 P P35 1 0.00000000 0.00000000 0.64965897 1.0