# generated using pymatgen data_Sc3BeGa2Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90207614 _cell_length_b 6.90207611 _cell_length_c 3.35222975 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000961 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3BeGa2Ir3 _chemical_formula_sum 'Sc3 Be1 Ga2 Ir3' _cell_volume 138.30053371 _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 Sc Sc0 1 0.00000000 0.38425108 0.50000000 1.0 Sc Sc1 1 0.61574892 0.61574892 0.50000000 1.0 Sc Sc2 1 0.38425108 0.00000000 0.50000000 1.0 Be Be3 1 0.00000000 0.00000000 0.50000000 1.0 Ga Ga4 1 0.66666700 0.33333300 0.00000000 1.0 Ga Ga5 1 0.33333300 0.66666700 0.00000000 1.0 Ir Ir6 1 1.00000000 0.75800529 0.00000000 1.0 Ir Ir7 1 0.24199471 0.24199471 0.00000000 1.0 Ir Ir8 1 0.75800529 1.00000000 0.00000000 1.0