# generated using pymatgen data_La5Nb3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.85046072 _cell_length_b 12.85046141 _cell_length_c 4.04332948 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999821 _symmetry_Int_Tables_number 1 _chemical_formula_structural La5Nb3(P3Ir4)4 _chemical_formula_sum 'La5 Nb3 P12 Ir16' _cell_volume 578.23874922 _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 La La0 1 0.33333300 0.66666700 0.50000000 1.0 La La1 1 0.66666700 0.33333300 0.50000000 1.0 La La2 1 1.00000000 0.81359358 0.00000000 1.0 La La3 1 0.18640642 0.18640642 0.00000000 1.0 La La4 1 0.81359358 0.00000000 0.00000000 1.0 Nb Nb5 1 1.00000000 0.44997315 0.50000000 1.0 Nb Nb6 1 0.55002685 0.55002685 0.50000000 1.0 Nb Nb7 1 0.44997315 0.00000000 0.50000000 1.0 P P8 1 0.00000000 0.63732368 0.50000000 1.0 P P9 1 0.36267632 0.36267632 0.50000000 1.0 P P10 1 0.63732368 0.00000000 0.50000000 1.0 P P11 1 0.51954751 0.68518312 0.00000000 1.0 P P12 1 0.31481688 0.83436439 0.00000000 1.0 P P13 1 0.16563561 0.48045249 0.00000000 1.0 P P14 1 0.48045249 0.16563561 0.00000000 1.0 P P15 1 0.68518312 0.51954751 0.00000000 1.0 P P16 1 0.83436439 0.31481688 0.00000000 1.0 P P17 1 1.00000000 0.18035593 0.50000000 1.0 P P18 1 0.81964407 0.81964407 0.50000000 1.0 P P19 1 0.18035593 0.00000000 0.50000000 1.0 Ir Ir20 1 0.50950598 0.86659080 0.00000000 1.0 Ir Ir21 1 0.13340920 0.64291618 0.00000000 1.0 Ir Ir22 1 0.35708382 0.49049402 0.00000000 1.0 Ir Ir23 1 0.49049402 0.35708382 0.00000000 1.0 Ir Ir24 1 0.86659080 0.50950598 0.00000000 1.0 Ir Ir25 1 0.64291618 0.13340920 0.00000000 1.0 Ir Ir26 1 1.00000000 0.28443413 0.00000000 1.0 Ir Ir27 1 0.71556587 0.71556587 0.00000000 1.0 Ir Ir28 1 0.28443413 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62445440 0.80212318 0.50000000 1.0 Ir Ir30 1 0.19787682 0.82233122 0.50000000 1.0 Ir Ir31 1 0.17766878 0.37554560 0.50000000 1.0 Ir Ir32 1 0.37554560 0.17766878 0.50000000 1.0 Ir Ir33 1 0.80212318 0.62445440 0.50000000 1.0 Ir Ir34 1 0.82233122 0.19787682 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0