# generated using pymatgen data_Np3ScSb5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.36374267 _cell_length_b 9.36374232 _cell_length_c 6.29761611 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999753 _symmetry_Int_Tables_number 1 _chemical_formula_structural Np3ScSb5 _chemical_formula_sum 'Np6 Sc2 Sb10' _cell_volume 478.19579120 _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 Np Np0 1 0.38218060 1.00000000 0.75000000 1.0 Np Np1 1 0.38218060 0.38218060 0.25000000 1.0 Np Np2 1 0.00000000 0.61781940 0.25000000 1.0 Np Np3 1 1.00000000 0.38218060 0.75000000 1.0 Np Np4 1 0.61781940 0.61781940 0.75000000 1.0 Np Np5 1 0.61781940 0.00000000 0.25000000 1.0 Sc Sc6 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc7 1 0.00000000 0.00000000 0.50000000 1.0 Sb Sb8 1 0.66666700 0.33333300 0.50000000 1.0 Sb Sb9 1 0.33333300 0.66666700 0.00000000 1.0 Sb Sb10 1 0.73606230 0.00000000 0.75000000 1.0 Sb Sb11 1 0.73606230 0.73606230 0.25000000 1.0 Sb Sb12 1 0.33333300 0.66666700 0.50000000 1.0 Sb Sb13 1 0.66666700 0.33333300 0.00000000 1.0 Sb Sb14 1 0.26393770 1.00000000 0.25000000 1.0 Sb Sb15 1 0.26393770 0.26393770 0.75000000 1.0 Sb Sb16 1 0.00000000 0.73606230 0.75000000 1.0 Sb Sb17 1 1.00000000 0.26393770 0.25000000 1.0