# generated using pymatgen data_Nb3Ga2TcN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.28959063 _cell_length_b 8.28959075 _cell_length_c 8.28959136 _cell_angle_alpha 60.00000152 _cell_angle_beta 60.00000103 _cell_angle_gamma 60.00000572 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3Ga2TcN _chemical_formula_sum 'Nb12 Ga8 Tc4 N4' _cell_volume 402.79523616 _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 0.44608256 0.44608256 0.05391744 1.0 Nb Nb1 1 0.05391744 0.44608256 0.05391744 1.0 Nb Nb2 1 0.44608256 0.05391744 0.05391744 1.0 Nb Nb3 1 0.05391744 0.05391744 0.44608256 1.0 Nb Nb4 1 0.44608256 0.05391744 0.44608256 1.0 Nb Nb5 1 0.05391744 0.44608256 0.44608256 1.0 Nb Nb6 1 0.80391744 0.80391744 0.19608256 1.0 Nb Nb7 1 0.19608256 0.80391744 0.19608256 1.0 Nb Nb8 1 0.80391744 0.19608256 0.19608256 1.0 Nb Nb9 1 0.19608256 0.19608256 0.80391744 1.0 Nb Nb10 1 0.80391744 0.19608256 0.80391744 1.0 Nb Nb11 1 0.19608256 0.80391744 0.80391744 1.0 Ga Ga12 1 0.83657282 0.83657282 0.49028255 1.0 Ga Ga13 1 0.83657282 0.49028255 0.83657282 1.0 Ga Ga14 1 0.49028255 0.83657282 0.83657282 1.0 Ga Ga15 1 0.83657282 0.83657282 0.83657282 1.0 Ga Ga16 1 0.41342718 0.41342718 0.75971745 1.0 Ga Ga17 1 0.41342718 0.75971745 0.41342718 1.0 Ga Ga18 1 0.75971745 0.41342718 0.41342718 1.0 Ga Ga19 1 0.41342718 0.41342718 0.41342718 1.0 Tc Tc20 1 0.62500000 0.62500000 0.12500000 1.0 Tc Tc21 1 0.62500000 0.12500000 0.62500000 1.0 Tc Tc22 1 0.12500000 0.62500000 0.62500000 1.0 Tc Tc23 1 0.62500000 0.62500000 0.62500000 1.0 N N24 1 0.12500000 0.12500000 0.62500000 1.0 N N25 1 0.12500000 0.62500000 0.12500000 1.0 N N26 1 0.62500000 0.12500000 0.12500000 1.0 N N27 1 0.12500000 0.12500000 0.12500000 1.0