# generated using pymatgen data_Sc3Zn3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.49244145 _cell_length_b 8.49244120 _cell_length_c 8.49244139 _cell_angle_alpha 59.99999547 _cell_angle_beta 59.99999643 _cell_angle_gamma 60.00000106 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Zn3N _chemical_formula_sum 'Sc12 Zn12 N4' _cell_volume 433.09447857 _cell_formula_units_Z 4 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 Sc Sc0 1 0.81277342 0.18722658 0.18722658 1.0 Sc Sc1 1 0.18722658 0.81277342 0.18722658 1.0 Sc Sc2 1 0.81277342 0.81277342 0.18722658 1.0 Sc Sc3 1 0.18722658 0.81277342 0.81277342 1.0 Sc Sc4 1 0.81277342 0.18722658 0.81277342 1.0 Sc Sc5 1 0.18722658 0.18722658 0.81277342 1.0 Sc Sc6 1 0.43722658 0.06277342 0.06277342 1.0 Sc Sc7 1 0.06277342 0.43722658 0.06277342 1.0 Sc Sc8 1 0.43722658 0.43722658 0.06277342 1.0 Sc Sc9 1 0.06277342 0.43722658 0.43722658 1.0 Sc Sc10 1 0.43722658 0.06277342 0.43722658 1.0 Sc Sc11 1 0.06277342 0.06277342 0.43722658 1.0 Zn Zn12 1 0.42018266 0.42018266 0.73945101 1.0 Zn Zn13 1 0.42018266 0.42018266 0.42018266 1.0 Zn Zn14 1 0.73945101 0.42018266 0.42018266 1.0 Zn Zn15 1 0.42018266 0.73945101 0.42018266 1.0 Zn Zn16 1 0.82981734 0.82981734 0.51054899 1.0 Zn Zn17 1 0.82981734 0.82981734 0.82981734 1.0 Zn Zn18 1 0.51054899 0.82981734 0.82981734 1.0 Zn Zn19 1 0.82981734 0.51054899 0.82981734 1.0 Zn Zn20 1 0.62500000 0.62500000 0.12500000 1.0 Zn Zn21 1 0.62500000 0.62500000 0.62500000 1.0 Zn Zn22 1 0.12500000 0.62500000 0.62500000 1.0 Zn Zn23 1 0.62500000 0.12500000 0.62500000 1.0 N N24 1 0.12500000 0.12500000 0.62500000 1.0 N N25 1 0.12500000 0.12500000 0.12500000 1.0 N N26 1 0.62500000 0.12500000 0.12500000 1.0 N N27 1 0.12500000 0.62500000 0.12500000 1.0