# generated using pymatgen data_Mg15Si2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.77835500 _cell_length_b 13.77835500 _cell_length_c 8.80872500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg15Si2Ir5 _chemical_formula_sum 'Mg60 Si8 Ir20' _cell_volume 1672.27536601 _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 0.49402000 0.98339300 0.65807700 1.0 Mg Mg1 1 0.61890800 0.68906800 0.97433600 1.0 Mg Mg2 1 0.66341700 0.87850400 0.18488400 1.0 Mg Mg3 1 0.19404500 0.41045800 0.14390100 1.0 Mg Mg4 1 0.00598000 0.51660700 0.65807700 1.0 Mg Mg5 1 0.41045800 0.30595500 0.35609900 1.0 Mg Mg6 1 0.54700300 0.19698800 0.86105400 1.0 Mg Mg7 1 0.69698800 0.45299700 0.36105400 1.0 Mg Mg8 1 0.04700300 0.69698800 0.13894600 1.0 Mg Mg9 1 0.81093200 0.61890800 0.52566400 1.0 Mg Mg10 1 0.99402000 0.48339300 0.34192300 1.0 Mg Mg11 1 0.11890800 0.18906800 0.02566400 1.0 Mg Mg12 1 0.50598000 0.01660700 0.34192300 1.0 Mg Mg13 1 0.19698800 0.95299700 0.63894600 1.0 Mg Mg14 1 0.17748200 0.61822400 0.38462300 1.0 Mg Mg15 1 0.38109200 0.31093200 0.02566400 1.0 Mg Mg16 1 0.58954200 0.69404500 0.64390100 1.0 Mg Mg17 1 0.88114100 0.17794200 0.61168300 1.0 Mg Mg18 1 0.45299700 0.80301200 0.13894600 1.0 Mg Mg19 1 0.98339300 0.00598000 0.84192300 1.0 Mg Mg20 1 0.69404500 0.91045800 0.85609900 1.0 Mg Mg21 1 0.01660700 0.99402000 0.15807700 1.0 Mg Mg22 1 0.37850400 0.33658300 0.68488400 1.0 Mg Mg23 1 0.50000000 0.50000000 0.50000000 1.0 Mg Mg24 1 0.31093200 0.11890800 0.47433600 1.0 Mg Mg25 1 0.68906800 0.88109200 0.52566400 1.0 Mg Mg26 1 0.08954200 0.19404500 0.35609900 1.0 Mg Mg27 1 0.33658300 0.12149600 0.81511600 1.0 Mg Mg28 1 0.82205800 0.38114100 0.11168300 1.0 Mg Mg29 1 0.32251800 0.88177600 0.38462300 1.0 Mg Mg30 1 0.95299700 0.30301200 0.86105400 1.0 Mg Mg31 1 0.61885900 0.32205800 0.61168300 1.0 Mg Mg32 1 0.16341700 0.37850400 0.81511600 1.0 Mg Mg33 1 0.88109200 0.81093200 0.97433600 1.0 Mg Mg34 1 0.61822400 0.32251800 0.11537700 1.0 Mg Mg35 1 0.30595500 0.08954200 0.14390100 1.0 Mg Mg36 1 0.83658300 0.62149600 0.18488400 1.0 Mg Mg37 1 0.82251800 0.38177600 0.61537700 1.0 Mg Mg38 1 0.50000000 0.00000000 0.00000000 1.0 Mg Mg39 1 0.00000000 0.50000000 0.00000000 1.0 Mg Mg40 1 0.11885900 0.82205800 0.38831700 1.0 Mg Mg41 1 0.80595500 0.58954200 0.85609900 1.0 Mg Mg42 1 0.48339300 0.50598000 0.15807700 1.0 Mg Mg43 1 0.30301200 0.54700300 0.63894600 1.0 Mg Mg44 1 0.32205800 0.88114100 0.88831700 1.0 Mg Mg45 1 0.62149600 0.66341700 0.31511600 1.0 Mg Mg46 1 0.88177600 0.17748200 0.11537700 1.0 Mg Mg47 1 0.67794200 0.11885900 0.11168300 1.0 Mg Mg48 1 0.17794200 0.61885900 0.88831700 1.0 Mg Mg49 1 0.51660700 0.49402000 0.84192300 1.0 Mg Mg50 1 0.38114100 0.67794200 0.38831700 1.0 Mg Mg51 1 0.12149600 0.16341700 0.68488400 1.0 Mg Mg52 1 0.18906800 0.38109200 0.47433600 1.0 Mg Mg53 1 0.00000000 0.00000000 0.50000000 1.0 Mg Mg54 1 0.91045800 0.80595500 0.64390100 1.0 Mg Mg55 1 0.80301200 0.04700300 0.36105400 1.0 Mg Mg56 1 0.38177600 0.67748200 0.88462300 1.0 Mg Mg57 1 0.87850400 0.83658300 0.31511600 1.0 Mg Mg58 1 0.67748200 0.11822400 0.61537700 1.0 Mg Mg59 1 0.11822400 0.82251800 0.88462300 1.0 Si Si60 1 0.58417800 0.20212300 0.36509100 1.0 Si Si61 1 0.20212300 0.91582200 0.13490900 1.0 Si Si62 1 0.79787700 0.08417800 0.86509100 1.0 Si Si63 1 0.41582200 0.79787700 0.63490900 1.0 Si Si64 1 0.91582200 0.29787700 0.36509100 1.0 Si Si65 1 0.08417800 0.70212300 0.63490900 1.0 Si Si66 1 0.70212300 0.41582200 0.86509100 1.0 Si Si67 1 0.29787700 0.58417800 0.13490900 1.0 Ir Ir68 1 0.17009100 0.01458000 0.34853600 1.0 Ir Ir69 1 0.51805000 0.82575200 0.42453500 1.0 Ir Ir70 1 0.01805000 0.32575200 0.57546500 1.0 Ir Ir71 1 0.75000000 0.25000000 0.36351800 1.0 Ir Ir72 1 0.17424800 0.01805000 0.92453500 1.0 Ir Ir73 1 0.25000000 0.75000000 0.63648200 1.0 Ir Ir74 1 0.32575200 0.48195000 0.92453500 1.0 Ir Ir75 1 0.98195000 0.67424800 0.42453500 1.0 Ir Ir76 1 0.67009100 0.51458000 0.65146400 1.0 Ir Ir77 1 0.67424800 0.51805000 0.07546500 1.0 Ir Ir78 1 0.48195000 0.17424800 0.57546500 1.0 Ir Ir79 1 0.48542000 0.17009100 0.15146400 1.0 Ir Ir80 1 0.82575200 0.98195000 0.07546500 1.0 Ir Ir81 1 0.51458000 0.82990900 0.84853600 1.0 Ir Ir82 1 0.32990900 0.48542000 0.34853600 1.0 Ir Ir83 1 0.25000000 0.75000000 0.13648200 1.0 Ir Ir84 1 0.82990900 0.98542000 0.65146400 1.0 Ir Ir85 1 0.01458000 0.32990900 0.15146400 1.0 Ir Ir86 1 0.98542000 0.67009100 0.84853600 1.0 Ir Ir87 1 0.75000000 0.25000000 0.86351800 1.0