# generated using pymatgen data_Ga3Si13Ir12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61100050 _cell_length_b 5.92245015 _cell_length_c 19.20897588 _cell_angle_alpha 90.02860190 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga3Si13Ir12 _chemical_formula_sum 'Ga3 Si13 Ir12' _cell_volume 410.80253992 _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 Ga Ga0 1 0.25000000 0.98335139 0.45151662 1.0 Ga Ga1 1 0.75000000 0.01730686 0.54862019 1.0 Ga Ga2 1 0.75000000 0.47756452 0.04905319 1.0 Si Si3 1 0.25000000 0.52062180 0.95059684 1.0 Si Si4 1 0.25000000 0.08008341 0.91008949 1.0 Si Si5 1 0.75000000 0.91868499 0.08908281 1.0 Si Si6 1 0.75000000 0.57835261 0.58884884 1.0 Si Si7 1 0.25000000 0.42164974 0.41156701 1.0 Si Si8 1 0.25000000 0.72940545 0.26945722 1.0 Si Si9 1 0.75000000 0.27097797 0.73015379 1.0 Si Si10 1 0.75000000 0.22774361 0.22999380 1.0 Si Si11 1 0.25000000 0.77668405 0.76922853 1.0 Si Si12 1 0.25000000 0.38668235 0.14163335 1.0 Si Si13 1 0.75000000 0.61667966 0.85751898 1.0 Si Si14 1 0.75000000 0.88644191 0.35871381 1.0 Si Si15 1 0.25000000 0.11283958 0.64142885 1.0 Ir Ir16 1 0.25000000 0.39356340 0.82794438 1.0 Ir Ir17 1 0.75000000 0.61172221 0.17565399 1.0 Ir Ir18 1 0.75000000 0.88577682 0.67678201 1.0 Ir Ir19 1 0.25000000 0.11282199 0.32328649 1.0 Ir Ir20 1 0.25000000 0.49042022 0.68017198 1.0 Ir Ir21 1 0.75000000 0.50786129 0.32146503 1.0 Ir Ir22 1 0.75000000 0.99704058 0.82353249 1.0 Ir Ir23 1 0.25000000 0.00751708 0.17610808 1.0 Ir Ir24 1 0.25000000 0.33208403 0.53581230 1.0 Ir Ir25 1 0.75000000 0.66905683 0.46492211 1.0 Ir Ir26 1 0.75000000 0.80987333 0.96561242 1.0 Ir Ir27 1 0.25000000 0.17719334 0.03120838 1.0