# generated using pymatgen data_Ga5Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83271382 _cell_length_b 5.83271382 _cell_length_c 14.21514178 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga5Ir3 _chemical_formula_sum 'Ga20 Ir12' _cell_volume 483.60694888 _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 Ga Ga0 1 0.22819639 0.35030818 0.05297321 1.0 Ga Ga1 1 0.77180361 0.64969182 0.05297321 1.0 Ga Ga2 1 0.35030818 0.77180361 0.94702679 1.0 Ga Ga3 1 0.72819639 0.14969182 0.55297321 1.0 Ga Ga4 1 0.64969182 0.22819639 0.94702679 1.0 Ga Ga5 1 0.27180361 0.85030818 0.55297321 1.0 Ga Ga6 1 0.85030818 0.72819639 0.44702679 1.0 Ga Ga7 1 0.14969182 0.27180361 0.44702679 1.0 Ga Ga8 1 0.34429401 0.30851686 0.65303188 1.0 Ga Ga9 1 0.65570599 0.69148314 0.65303188 1.0 Ga Ga10 1 0.30851686 0.65570599 0.34696812 1.0 Ga Ga11 1 0.84429401 0.19148314 0.15303188 1.0 Ga Ga12 1 0.69148314 0.34429401 0.34696812 1.0 Ga Ga13 1 0.15570599 0.80851686 0.15303188 1.0 Ga Ga14 1 0.80851686 0.84429401 0.84696812 1.0 Ga Ga15 1 0.19148314 0.15570599 0.84696812 1.0 Ga Ga16 1 0.33211541 0.16788459 0.25000000 1.0 Ga Ga17 1 0.66788459 0.83211541 0.25000000 1.0 Ga Ga18 1 0.16788459 0.66788459 0.75000000 1.0 Ga Ga19 1 0.83211541 0.33211541 0.75000000 1.0 Ir Ir20 1 0.00000000 0.00000000 0.32719570 1.0 Ir Ir21 1 0.00000000 0.00000000 0.67280430 1.0 Ir Ir22 1 0.50000000 0.50000000 0.82719570 1.0 Ir Ir23 1 0.50000000 0.50000000 0.17280430 1.0 Ir Ir24 1 0.00000000 0.50000000 0.58600397 1.0 Ir Ir25 1 0.50000000 0.00000000 0.41399603 1.0 Ir Ir26 1 0.50000000 0.00000000 0.08600397 1.0 Ir Ir27 1 0.00000000 0.50000000 0.91399603 1.0 Ir Ir28 1 0.00000000 0.50000000 0.25000000 1.0 Ir Ir29 1 0.50000000 0.00000000 0.75000000 1.0 Ir Ir30 1 0.00000000 0.00000000 -0.00000000 1.0 Ir Ir31 1 0.50000000 0.50000000 0.50000000 1.0