# generated using pymatgen data_Mg3Si8Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63194654 _cell_length_b 8.63194977 _cell_length_c 8.63195108 _cell_angle_alpha 59.99894163 _cell_angle_beta 59.99893166 _cell_angle_gamma 59.99885608 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3Si8Ir3 _chemical_formula_sum 'Mg6 Si16 Ir6' _cell_volume 454.77950453 _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 Mg Mg0 1 0.85078193 0.85078155 0.85078135 1.0 Mg Mg1 1 0.85082170 0.85082146 0.44757007 1.0 Mg Mg2 1 0.85082202 0.44757055 0.85082114 1.0 Mg Mg3 1 0.49999656 0.50000717 0.50001621 1.0 Mg Mg4 1 0.44757028 0.85082188 0.85082111 1.0 Mg Mg5 1 0.24999926 0.24999882 0.24999832 1.0 Si Si6 1 0.89063287 0.46951350 0.46951283 1.0 Si Si7 1 0.77976648 0.07341109 0.07341023 1.0 Si Si8 1 0.46951448 0.89062790 0.17034428 1.0 Si Si9 1 0.46951399 0.46951347 0.89063236 1.0 Si Si10 1 0.46951582 0.17033802 0.46951468 1.0 Si Si11 1 0.89062841 0.17034526 0.46951309 1.0 Si Si12 1 0.17033831 0.46951522 0.46951461 1.0 Si Si13 1 0.17034478 0.46951387 0.89062809 1.0 Si Si14 1 0.07341163 0.77976599 0.07341024 1.0 Si Si15 1 0.46951584 0.46951532 0.17033751 1.0 Si Si16 1 0.89062804 0.46951396 0.17034462 1.0 Si Si17 1 0.17034516 0.89062856 0.46951308 1.0 Si Si18 1 0.46951409 0.89063265 0.46951287 1.0 Si Si19 1 0.07341149 0.07341098 0.77976533 1.0 Si Si20 1 0.46951438 0.17034453 0.89062783 1.0 Si Si21 1 0.07341162 0.07341105 0.07341045 1.0 Ir Ir22 1 0.24485712 0.75514374 0.24485599 1.0 Ir Ir23 1 0.75514510 0.75514463 0.24485308 1.0 Ir Ir24 1 0.75514446 0.24485641 0.24485568 1.0 Ir Ir25 1 0.24485477 0.75514419 0.75514328 1.0 Ir Ir26 1 0.24485450 0.24485411 0.75514711 1.0 Ir Ir27 1 0.75514492 0.24485409 0.75514354 1.0