# generated using pymatgen data_Ga2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89007832 _cell_length_b 6.78746011 _cell_length_c 10.91271210 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.68471883 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2Ir _chemical_formula_sum 'Ga12 Ir6' _cell_volume 276.00573039 _cell_formula_units_Z 6 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 0.44190882 0.88308483 0.60500070 1.0 Ga Ga1 1 0.55807997 0.11692845 0.39494387 1.0 Ga Ga2 1 0.55807997 0.11692845 0.10505713 1.0 Ga Ga3 1 0.44190882 0.88308483 0.89499930 1.0 Ga Ga4 1 0.82122682 0.64245191 0.51807849 1.0 Ga Ga5 1 0.17880439 0.35754648 0.48191404 1.0 Ga Ga6 1 0.23239655 0.46441541 0.75000000 1.0 Ga Ga7 1 0.76758201 0.53557006 0.25000000 1.0 Ga Ga8 1 0.03981188 0.07954498 0.75000000 1.0 Ga Ga9 1 0.96017024 0.92043836 0.25000000 1.0 Ga Ga10 1 0.82122682 0.64245191 0.98192151 1.0 Ga Ga11 1 0.17880439 0.35754648 0.01808596 1.0 Ir Ir12 1 0.63991043 0.27991332 0.62204411 1.0 Ir Ir13 1 0.36011191 0.72011205 0.37794511 1.0 Ir Ir14 1 0.36011191 0.72011205 0.12205489 1.0 Ir Ir15 1 0.63991043 0.27991332 0.87795589 1.0 Ir Ir16 1 0.14881783 0.29873758 0.25000000 1.0 Ir Ir17 1 0.85113479 0.70121853 0.75000000 1.0