# generated using pymatgen data_Gd2(Ga3Ir)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.52325604 _cell_length_b 7.52325604 _cell_length_c 9.49525015 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.78894406 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd2(Ga3Ir)3 _chemical_formula_sum 'Gd4 Ga18 Ir6' _cell_volume 466.41062568 _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 Gd Gd0 1 0.99755357 0.66899332 0.25000000 1.0 Gd Gd1 1 0.00244643 0.33100668 0.75000000 1.0 Gd Gd2 1 0.66899332 0.99755357 0.25000000 1.0 Gd Gd3 1 0.33100668 0.00244643 0.75000000 1.0 Ga Ga4 1 0.13013479 0.13013479 0.25000000 1.0 Ga Ga5 1 0.86986521 0.86986521 0.75000000 1.0 Ga Ga6 1 0.00154946 0.33450742 0.07830133 1.0 Ga Ga7 1 0.99845054 0.66549258 0.92169867 1.0 Ga Ga8 1 0.99845054 0.66549258 0.57830133 1.0 Ga Ga9 1 0.33450742 0.00154946 0.42169867 1.0 Ga Ga10 1 0.00154946 0.33450742 0.42169867 1.0 Ga Ga11 1 0.66549258 0.99845054 0.57830133 1.0 Ga Ga12 1 0.66549258 0.99845054 0.92169867 1.0 Ga Ga13 1 0.33450742 0.00154946 0.07830133 1.0 Ga Ga14 1 0.33428088 0.33428088 0.56507220 1.0 Ga Ga15 1 0.66571912 0.66571912 0.43492780 1.0 Ga Ga16 1 0.66571912 0.66571912 0.06507220 1.0 Ga Ga17 1 0.33428088 0.33428088 0.93492780 1.0 Ga Ga18 1 0.33809970 0.54385396 0.25000000 1.0 Ga Ga19 1 0.66190030 0.45614604 0.75000000 1.0 Ga Ga20 1 0.54385396 0.33809970 0.25000000 1.0 Ga Ga21 1 0.45614604 0.66190030 0.75000000 1.0 Ir Ir22 1 0.67108513 0.32891487 -0.00000000 1.0 Ir Ir23 1 0.32891487 0.67108513 -0.00000000 1.0 Ir Ir24 1 0.32891487 0.67108513 0.50000000 1.0 Ir Ir25 1 0.67108513 0.32891487 0.50000000 1.0 Ir Ir26 1 -0.00000000 0.00000000 -0.00000000 1.0 Ir Ir27 1 -0.00000000 0.00000000 0.50000000 1.0