# generated using pymatgen data_Ti2V2GaN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96258963 _cell_length_b 2.96258829 _cell_length_c 22.55598020 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998143 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2V2GaN3 _chemical_formula_sum 'Ti4 V4 Ga2 N6' _cell_volume 171.44910330 _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 Ti Ti0 1 0.33333300 0.66666700 0.44337230 1.0 Ti Ti1 1 0.66666700 0.33333300 0.55662770 1.0 Ti Ti2 1 0.66666700 0.33333300 0.94337230 1.0 Ti Ti3 1 0.33333300 0.66666700 0.05662770 1.0 V V4 1 0.00000000 0.00000000 0.34378843 1.0 V V5 1 0.00000000 0.00000000 0.65621157 1.0 V V6 1 0.00000000 0.00000000 0.84378843 1.0 V V7 1 0.00000000 0.00000000 0.15621157 1.0 Ga Ga8 1 0.33333300 0.66666700 0.25000000 1.0 Ga Ga9 1 0.66666700 0.33333300 0.75000000 1.0 N N10 1 0.00000000 0.00000000 0.50000000 1.0 N N11 1 0.00000000 0.00000000 0.00000000 1.0 N N12 1 0.66666700 0.33333300 0.39002526 1.0 N N13 1 0.33333300 0.66666700 0.60997474 1.0 N N14 1 0.33333300 0.66666700 0.89002526 1.0 N N15 1 0.66666700 0.33333300 0.10997474 1.0