# generated using pymatgen data_Nb3InCu2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.34149108 _cell_length_b 8.34149154 _cell_length_c 8.34149108 _cell_angle_alpha 120.00000206 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000206 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3InCu2N _chemical_formula_sum 'Nb12 In4 Cu8 N4' _cell_volume 410.40823688 _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 Nb Nb0 1 0.30346065 0.75000100 0.19653935 1.0 Nb Nb1 1 0.94654035 0.39307971 0.19653935 1.0 Nb Nb2 1 0.94654035 0.75000100 0.19653935 1.0 Nb Nb3 1 0.69654035 0.89307971 0.44653935 1.0 Nb Nb4 1 0.69654035 0.25000100 0.44653935 1.0 Nb Nb5 1 0.05346165 0.25000100 0.44654035 1.0 Nb Nb6 1 0.30346065 0.10692029 0.55346165 1.0 Nb Nb7 1 0.30346065 0.75000100 0.55346165 1.0 Nb Nb8 1 0.94654035 0.75000100 0.55346165 1.0 Nb Nb9 1 0.69654035 0.25000100 0.80346165 1.0 Nb Nb10 1 0.05346065 0.60692029 0.80346165 1.0 Nb Nb11 1 0.05346065 0.25000100 0.80346165 1.0 In In12 1 0.00000000 0.00000000 0.00000000 1.0 In In13 1 0.50000000 0.00000000 0.00000000 1.0 In In14 1 0.50000000 0.50000000 0.00000000 1.0 In In15 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu16 1 0.70906587 0.91813074 0.12719861 1.0 Cu Cu17 1 0.29093413 0.08186826 0.20906587 1.0 Cu Cu18 1 0.29093413 0.41813174 0.20906587 1.0 Cu Cu19 1 0.62719861 0.41813174 0.20906587 1.0 Cu Cu20 1 0.70906587 0.58186826 0.79093413 1.0 Cu Cu21 1 0.70906587 0.91813074 0.79093413 1.0 Cu Cu22 1 0.37280139 0.58186826 0.79093413 1.0 Cu Cu23 1 0.29093413 0.08186826 0.87280139 1.0 N N24 1 0.00000000 0.50000000 0.00000000 1.0 N N25 1 0.00000000 0.00000000 0.50000000 1.0 N N26 1 0.50000000 0.00000000 0.50000000 1.0 N N27 1 0.00000000 0.50000000 0.50000000 1.0