# generated using pymatgen data_ScNb4ZnSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.37466569 _cell_length_b 8.34231362 _cell_length_c 5.66482178 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.87229559 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNb4ZnSn3 _chemical_formula_sum 'Sc2 Nb8 Zn2 Sn6' _cell_volume 343.18500419 _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 Sc Sc0 1 0.73551152 0.73339007 0.75000000 1.0 Sc Sc1 1 0.26448848 0.99787955 0.75000000 1.0 Nb Nb2 1 0.66836581 0.33313228 0.00090704 1.0 Nb Nb3 1 0.33163419 0.66476747 0.00090704 1.0 Nb Nb4 1 0.33163419 0.66476747 0.49909296 1.0 Nb Nb5 1 0.66836581 0.33313228 0.49909296 1.0 Nb Nb6 1 1.00000000 0.26336005 0.75000000 1.0 Nb Nb7 1 0.27942641 0.27958226 0.25000000 1.0 Nb Nb8 1 0.72057359 0.00015585 0.25000000 1.0 Nb Nb9 1 0.00000000 0.72601532 0.25000000 1.0 Zn Zn10 1 0.00000000 0.00336472 0.01192039 1.0 Zn Zn11 1 0.00000000 0.00336472 0.48807961 1.0 Sn Sn12 1 0.38675312 0.38677855 0.75000000 1.0 Sn Sn13 1 0.61324688 0.00002443 0.75000000 1.0 Sn Sn14 1 1.00000000 0.60871650 0.75000000 1.0 Sn Sn15 1 0.61858834 0.61873522 0.25000000 1.0 Sn Sn16 1 0.38141166 0.00014689 0.25000000 1.0 Sn Sn17 1 1.00000000 0.38268536 0.25000000 1.0