# generated using pymatgen data_Ti6GaSiN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46983455 _cell_length_b 5.46983422 _cell_length_c 8.15730564 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.96582052 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti6GaSiN2 _chemical_formula_sum 'Ti6 Ga1 Si1 N2' _cell_volume 133.04621846 _cell_formula_units_Z 1 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 0.62931830 0.37068170 0.54965011 1.0 Ti Ti1 1 0.37279681 0.62720319 0.04059035 1.0 Ti Ti2 1 0.37279681 0.62720319 0.45940965 1.0 Ti Ti3 1 0.62931830 0.37068170 0.95034989 1.0 Ti Ti4 1 0.94990182 0.05009818 0.75000000 1.0 Ti Ti5 1 0.04404239 0.95595761 0.25000000 1.0 Ga Ga6 1 0.74696502 0.25303498 0.25000000 1.0 Si Si7 1 0.25410307 0.74589693 0.75000000 1.0 N N8 1 0.00037824 0.99962176 0.50080501 1.0 N N9 1 0.00037824 0.99962176 0.99919499 1.0