# generated using pymatgen data_Zr(ScZn4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16833597 _cell_length_b 6.46140911 _cell_length_c 9.62463262 _cell_angle_alpha 89.81117383 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr(ScZn4)3 _chemical_formula_sum 'Zr1 Sc3 Zn12' _cell_volume 259.22194083 _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 0.75000000 0.21813638 0.16588142 1.0 Sc Sc1 1 0.25000000 0.28230423 0.66626978 1.0 Sc Sc2 1 0.25000000 0.77932995 0.83249958 1.0 Sc Sc3 1 0.75000000 0.72012712 0.33490933 1.0 Zn Zn4 1 0.25000000 0.53839578 0.09895426 1.0 Zn Zn5 1 0.25000000 0.04106531 0.39977677 1.0 Zn Zn6 1 0.75000000 0.46032619 0.90188412 1.0 Zn Zn7 1 0.75000000 0.96121074 0.59968192 1.0 Zn Zn8 1 0.25000000 0.92457512 0.15140388 1.0 Zn Zn9 1 0.25000000 0.42512551 0.34750117 1.0 Zn Zn10 1 0.75000000 0.07602859 0.84965563 1.0 Zn Zn11 1 0.75000000 0.57673075 0.65195620 1.0 Zn Zn12 1 0.25000000 0.21029910 0.95919217 1.0 Zn Zn13 1 0.25000000 0.71021204 0.53985530 1.0 Zn Zn14 1 0.75000000 0.78706307 0.04229887 1.0 Zn Zn15 1 0.75000000 0.28906810 0.45827960 1.0