# generated using pymatgen data_Hf2Zr(Co3P2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59591446 _cell_length_b 10.19051193 _cell_length_c 11.81007296 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Zr(Co3P2)3 _chemical_formula_sum 'Hf4 Zr2 Co18 P12' _cell_volume 432.77078471 _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 Hf Hf0 1 0.25000000 0.92807679 0.79170572 1.0 Hf Hf1 1 0.25000000 0.57192321 0.79170572 1.0 Hf Hf2 1 0.75000000 0.07192321 0.20829428 1.0 Hf Hf3 1 0.75000000 0.42807679 0.20829428 1.0 Zr Zr4 1 0.75000000 0.25000000 0.47268661 1.0 Zr Zr5 1 0.25000000 0.75000000 0.52731339 1.0 Co Co6 1 0.25000000 0.25000000 0.83779101 1.0 Co Co7 1 0.75000000 0.75000000 0.16220899 1.0 Co Co8 1 0.25000000 0.25000000 0.29498346 1.0 Co Co9 1 0.75000000 0.75000000 0.70501654 1.0 Co Co10 1 0.75000000 0.25000000 0.01129784 1.0 Co Co11 1 0.25000000 0.75000000 0.98870216 1.0 Co Co12 1 0.25000000 0.41727028 0.00538955 1.0 Co Co13 1 0.25000000 0.08272972 0.00538955 1.0 Co Co14 1 0.75000000 0.58272972 0.99461045 1.0 Co Co15 1 0.75000000 0.91727028 0.99461045 1.0 Co Co16 1 0.25000000 0.45080060 0.56790916 1.0 Co Co17 1 0.25000000 0.04919940 0.56790916 1.0 Co Co18 1 0.75000000 0.54919940 0.43209084 1.0 Co Co19 1 0.75000000 0.95080060 0.43209084 1.0 Co Co20 1 0.25000000 0.87425297 0.29204685 1.0 Co Co21 1 0.25000000 0.62574703 0.29204685 1.0 Co Co22 1 0.75000000 0.12574703 0.70795315 1.0 Co Co23 1 0.75000000 0.37425297 0.70795315 1.0 P P24 1 0.25000000 0.25000000 0.11976351 1.0 P P25 1 0.75000000 0.75000000 0.88023649 1.0 P P26 1 0.25000000 0.25000000 0.64841597 1.0 P P27 1 0.75000000 0.75000000 0.35158403 1.0 P P28 1 0.25000000 0.43333210 0.38248832 1.0 P P29 1 0.25000000 0.06666790 0.38248832 1.0 P P30 1 0.75000000 0.56666790 0.61751168 1.0 P P31 1 0.75000000 0.93333210 0.61751168 1.0 P P32 1 0.25000000 0.90713147 0.11127077 1.0 P P33 1 0.25000000 0.59286853 0.11127077 1.0 P P34 1 0.75000000 0.09286853 0.88872923 1.0 P P35 1 0.75000000 0.40713147 0.88872923 1.0