# generated using pymatgen data_Lu5Ge6P6Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.84239140 _cell_length_b 12.84239125 _cell_length_c 3.92698467 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999836 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu5Ge6P6Ir19 _chemical_formula_sum 'Lu5 Ge6 P6 Ir19' _cell_volume 560.89509665 _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 Lu Lu0 1 0.33333300 0.66666700 0.50000000 1.0 Lu Lu1 1 0.66666700 0.33333300 0.50000000 1.0 Lu Lu2 1 0.00402873 0.82136952 0.00000000 1.0 Lu Lu3 1 0.17863048 0.18265921 0.00000000 1.0 Lu Lu4 1 0.81734079 0.99597127 0.00000000 1.0 Ge Ge5 1 0.99863540 0.63997473 0.50000000 1.0 Ge Ge6 1 0.36002527 0.35866167 0.50000000 1.0 Ge Ge7 1 0.64133833 0.00136460 0.50000000 1.0 Ge Ge8 1 0.51893310 0.67733222 0.00000000 1.0 Ge Ge9 1 0.32266778 0.84160087 0.00000000 1.0 Ge Ge10 1 0.15839913 0.48106690 0.00000000 1.0 P P11 1 0.48504268 0.17989144 0.00000000 1.0 P P12 1 0.69484776 0.51495732 0.00000000 1.0 P P13 1 0.82010856 0.30515224 0.00000000 1.0 P P14 1 0.99282511 0.17297481 0.50000000 1.0 P P15 1 0.82702519 0.81985030 0.50000000 1.0 P P16 1 0.18014970 0.00717489 0.50000000 1.0 Ir Ir17 1 0.51997022 0.86757093 0.00000000 1.0 Ir Ir18 1 0.13242907 0.65240028 0.00000000 1.0 Ir Ir19 1 0.34759972 0.48002978 0.00000000 1.0 Ir Ir20 1 0.50102465 0.36987474 0.00000000 1.0 Ir Ir21 1 0.86885010 0.49897535 0.00000000 1.0 Ir Ir22 1 0.63012526 0.13114990 0.00000000 1.0 Ir Ir23 1 0.01167311 0.45638444 0.50000000 1.0 Ir Ir24 1 0.54361556 0.55528967 0.50000000 1.0 Ir Ir25 1 0.44471033 0.98832689 0.50000000 1.0 Ir Ir26 1 0.98873528 0.26782123 0.00000000 1.0 Ir Ir27 1 0.73217877 0.72091406 0.00000000 1.0 Ir Ir28 1 0.27908594 0.01126472 0.00000000 1.0 Ir Ir29 1 0.64212051 0.81142320 0.50000000 1.0 Ir Ir30 1 0.18857680 0.83069630 0.50000000 1.0 Ir Ir31 1 0.16930370 0.35787949 0.50000000 1.0 Ir Ir32 1 0.38777194 0.18129447 0.50000000 1.0 Ir Ir33 1 0.79352353 0.61222806 0.50000000 1.0 Ir Ir34 1 0.81870553 0.20647647 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0