# generated using pymatgen data_Zr3Ta2Ga3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.90945919 _cell_length_b 7.90946126 _cell_length_c 5.50200625 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000371 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Ta2Ga3N _chemical_formula_sum 'Zr6 Ta4 Ga6 N2' _cell_volume 298.08861367 _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 Zr Zr0 1 0.23323986 0.00000000 0.25000000 1.0 Zr Zr1 1 1.00000000 0.23323986 0.25000000 1.0 Zr Zr2 1 0.76676014 0.76676014 0.25000000 1.0 Zr Zr3 1 0.76676014 1.00000000 0.75000000 1.0 Zr Zr4 1 0.00000000 0.76676014 0.75000000 1.0 Zr Zr5 1 0.23323986 0.23323986 0.75000000 1.0 Ta Ta6 1 0.66666700 0.33333300 0.00000000 1.0 Ta Ta7 1 0.33333300 0.66666700 0.00000000 1.0 Ta Ta8 1 0.66666700 0.33333300 0.50000000 1.0 Ta Ta9 1 0.33333300 0.66666700 0.50000000 1.0 Ga Ga10 1 0.59108279 1.00000000 0.25000000 1.0 Ga Ga11 1 0.00000000 0.59108279 0.25000000 1.0 Ga Ga12 1 0.40891721 0.40891721 0.25000000 1.0 Ga Ga13 1 0.40891721 0.00000000 0.75000000 1.0 Ga Ga14 1 1.00000000 0.40891721 0.75000000 1.0 Ga Ga15 1 0.59108279 0.59108279 0.75000000 1.0 N N16 1 0.00000000 0.00000000 0.00000000 1.0 N N17 1 0.00000000 0.00000000 0.50000000 1.0