# generated using pymatgen data_Nb3CrGa2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.26592201 _cell_length_b 8.26592169 _cell_length_c 8.26592291 _cell_angle_alpha 59.99999914 _cell_angle_beta 60.00000039 _cell_angle_gamma 59.99999670 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3CrGa2N _chemical_formula_sum 'Nb12 Cr4 Ga8 N4' _cell_volume 399.35481953 _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 0.80510808 0.80510808 0.19489192 1.0 Nb Nb1 1 0.19489192 0.19489192 0.80510808 1.0 Nb Nb2 1 0.80510808 0.19489192 0.80510808 1.0 Nb Nb3 1 0.19489192 0.80510808 0.19489192 1.0 Nb Nb4 1 0.19489192 0.80510808 0.80510808 1.0 Nb Nb5 1 0.80510808 0.19489192 0.19489192 1.0 Nb Nb6 1 0.44489192 0.44489192 0.05510808 1.0 Nb Nb7 1 0.05510808 0.05510808 0.44489192 1.0 Nb Nb8 1 0.44489192 0.05510808 0.44489192 1.0 Nb Nb9 1 0.05510808 0.44489192 0.05510808 1.0 Nb Nb10 1 0.05510808 0.44489192 0.44489192 1.0 Nb Nb11 1 0.44489192 0.05510808 0.05510808 1.0 Cr Cr12 1 0.12500000 0.62500000 0.62500000 1.0 Cr Cr13 1 0.62500000 0.12500000 0.62500000 1.0 Cr Cr14 1 0.62500000 0.62500000 0.12500000 1.0 Cr Cr15 1 0.62500000 0.62500000 0.62500000 1.0 Ga Ga16 1 0.75993913 0.41335462 0.41335462 1.0 Ga Ga17 1 0.41335462 0.75993913 0.41335462 1.0 Ga Ga18 1 0.41335462 0.41335462 0.75993913 1.0 Ga Ga19 1 0.41335462 0.41335462 0.41335462 1.0 Ga Ga20 1 0.49006087 0.83664538 0.83664538 1.0 Ga Ga21 1 0.83664538 0.49006087 0.83664538 1.0 Ga Ga22 1 0.83664538 0.83664538 0.49006087 1.0 Ga Ga23 1 0.83664538 0.83664538 0.83664538 1.0 N N24 1 0.62500000 0.12500000 0.12500000 1.0 N N25 1 0.12500000 0.62500000 0.12500000 1.0 N N26 1 0.12500000 0.12500000 0.62500000 1.0 N N27 1 0.12500000 0.12500000 0.12500000 1.0