# generated using pymatgen data_Nb19Al9MoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.93250072 _cell_length_b 9.93015368 _cell_length_c 5.18632565 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.22603377 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb19Al9MoIr _chemical_formula_sum 'Nb19 Al9 Mo1 Ir1' _cell_volume 511.52984597 _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 Nb Nb0 1 0.39227290 0.39792212 0.00000000 1.0 Nb Nb1 1 0.89759710 0.10362327 0.50000000 1.0 Nb Nb2 1 0.10316139 0.89644511 0.50000000 1.0 Nb Nb3 1 0.60076881 0.60151823 0.00000000 1.0 Nb Nb4 1 0.96633724 0.37335614 0.50000000 1.0 Nb Nb5 1 0.03575584 0.62601469 0.50000000 1.0 Nb Nb6 1 0.87619574 0.53369741 0.00000000 1.0 Nb Nb7 1 0.37194829 0.96539064 0.50000000 1.0 Nb Nb8 1 0.62801192 0.03516498 0.50000000 1.0 Nb Nb9 1 0.46439751 0.12936275 0.00000000 1.0 Nb Nb10 1 0.53536333 0.87051057 0.00000000 1.0 Nb Nb11 1 0.18242859 0.18316769 0.25307912 1.0 Nb Nb12 1 0.68022060 0.32065557 0.75183469 1.0 Nb Nb13 1 0.31941517 0.67891138 0.75150941 1.0 Nb Nb14 1 0.81810510 0.81744316 0.25274384 1.0 Nb Nb15 1 0.31941517 0.67891138 0.24849059 1.0 Nb Nb16 1 0.68022060 0.32065557 0.24816531 1.0 Nb Nb17 1 0.18242859 0.18316769 0.74692088 1.0 Nb Nb18 1 0.81810510 0.81744316 0.74725616 1.0 Al Al19 1 0.00018073 0.00018881 0.00000000 1.0 Al Al20 1 0.26095185 0.93244676 0.00000000 1.0 Al Al21 1 0.43370303 0.24494008 0.50000000 1.0 Al Al22 1 0.56586761 0.75547087 0.50000000 1.0 Al Al23 1 0.73903910 0.06767513 0.00000000 1.0 Al Al24 1 0.24320357 0.43423250 0.50000000 1.0 Al Al25 1 0.75564912 0.56606664 0.50000000 1.0 Al Al26 1 0.93470328 0.26227557 0.00000000 1.0 Al Al27 1 0.06797991 0.73740656 0.00000000 1.0 Mo Mo28 1 0.12766355 0.46614250 0.00000000 1.0 Ir Ir29 1 0.49891427 0.49979407 0.50000000 1.0