# generated using pymatgen data_Ti3Al2NiN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.04283618 _cell_length_b 8.04283618 _cell_length_c 8.04283618 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Al2NiN _chemical_formula_sum 'Ti12 Al8 Ni4 N4' _cell_volume 367.88549957 _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 Ti Ti0 1 0.81461500 0.81461500 0.18538500 1.0 Ti Ti1 1 0.06461500 0.43538500 0.43538500 1.0 Ti Ti2 1 0.43538500 0.06461500 0.06461500 1.0 Ti Ti3 1 0.06461500 0.06461500 0.43538500 1.0 Ti Ti4 1 0.06461500 0.43538500 0.06461500 1.0 Ti Ti5 1 0.43538500 0.06461500 0.43538500 1.0 Ti Ti6 1 0.18538500 0.81461500 0.18538500 1.0 Ti Ti7 1 0.18538500 0.81461500 0.81461500 1.0 Ti Ti8 1 0.81461500 0.18538500 0.18538500 1.0 Ti Ti9 1 0.81461500 0.18538500 0.81461500 1.0 Ti Ti10 1 0.43538500 0.43538500 0.06461500 1.0 Ti Ti11 1 0.18538500 0.18538500 0.81461500 1.0 Al Al12 1 0.41717400 0.74847700 0.41717400 1.0 Al Al13 1 0.83282600 0.83282600 0.50152300 1.0 Al Al14 1 0.50152300 0.83282600 0.83282600 1.0 Al Al15 1 0.83282600 0.83282600 0.83282600 1.0 Al Al16 1 0.74847700 0.41717400 0.41717400 1.0 Al Al17 1 0.41717400 0.41717400 0.41717400 1.0 Al Al18 1 0.41717400 0.41717400 0.74847700 1.0 Al Al19 1 0.83282600 0.50152300 0.83282600 1.0 Ni Ni20 1 0.62500000 0.12500000 0.62500000 1.0 Ni Ni21 1 0.62500000 0.62500000 0.12500000 1.0 Ni Ni22 1 0.12500000 0.62500000 0.62500000 1.0 Ni Ni23 1 0.62500000 0.62500000 0.62500000 1.0 N N24 1 0.12500000 0.62500000 0.12500000 1.0 N N25 1 0.12500000 0.12500000 0.62500000 1.0 N N26 1 0.62500000 0.12500000 0.12500000 1.0 N N27 1 0.12500000 0.12500000 0.12500000 1.0