# generated using pymatgen data_MgSi2IrRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00077561 _cell_length_b 8.95983189 _cell_length_c 10.84943083 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSi2IrRh3 _chemical_formula_sum 'Mg4 Si8 Ir4 Rh12' _cell_volume 388.91170196 _cell_formula_units_Z 4 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 0.25000000 0.12580349 0.81874390 1.0 Mg Mg1 1 0.25000000 0.37419651 0.31874390 1.0 Mg Mg2 1 0.75000000 0.87419651 0.18125610 1.0 Mg Mg3 1 0.75000000 0.62580349 0.68125610 1.0 Si Si4 1 0.25000000 0.40719756 0.63471065 1.0 Si Si5 1 0.25000000 0.09280244 0.13471065 1.0 Si Si6 1 0.75000000 0.59280244 0.36528935 1.0 Si Si7 1 0.75000000 0.90719756 0.86528935 1.0 Si Si8 1 0.25000000 0.61728835 0.06266575 1.0 Si Si9 1 0.25000000 0.88271165 0.56266575 1.0 Si Si10 1 0.75000000 0.38271165 0.93733425 1.0 Si Si11 1 0.75000000 0.11728835 0.43733425 1.0 Ir Ir12 1 0.25000000 0.62027118 0.50476839 1.0 Ir Ir13 1 0.25000000 0.87972882 0.00476839 1.0 Ir Ir14 1 0.75000000 0.37972882 0.49523161 1.0 Ir Ir15 1 0.75000000 0.12027118 0.99523161 1.0 Rh Rh16 1 0.25000000 0.70685754 0.26550549 1.0 Rh Rh17 1 0.25000000 0.79314246 0.76550549 1.0 Rh Rh18 1 0.75000000 0.29314246 0.73449451 1.0 Rh Rh19 1 0.75000000 0.20685754 0.23449451 1.0 Rh Rh20 1 0.25000000 0.16644893 0.55856915 1.0 Rh Rh21 1 0.25000000 0.33355107 0.05856915 1.0 Rh Rh22 1 0.75000000 0.83355107 0.44143085 1.0 Rh Rh23 1 0.75000000 0.66644893 0.94143085 1.0 Rh Rh24 1 0.25000000 0.01116958 0.33856617 1.0 Rh Rh25 1 0.25000000 0.48883042 0.83856617 1.0 Rh Rh26 1 0.75000000 0.98883042 0.66143383 1.0 Rh Rh27 1 0.75000000 0.51116958 0.16143383 1.0