# generated using pymatgen data_Tb5Lu3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.87281937 _cell_length_b 12.87281846 _cell_length_c 3.97684429 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999981 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Lu3(P3Ir4)4 _chemical_formula_sum 'Tb5 Lu3 P12 Ir16' _cell_volume 570.71138974 _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 Tb Tb0 1 0.33333300 0.66666700 0.50000000 1.0 Tb Tb1 1 0.66666700 0.33333300 0.50000000 1.0 Tb Tb2 1 0.00000000 0.81337914 0.00000000 1.0 Tb Tb3 1 0.18662086 0.18662086 0.00000000 1.0 Tb Tb4 1 0.81337914 1.00000000 0.00000000 1.0 Lu Lu5 1 1.00000000 0.44474504 0.50000000 1.0 Lu Lu6 1 0.55525496 0.55525496 0.50000000 1.0 Lu Lu7 1 0.44474504 0.00000000 0.50000000 1.0 P P8 1 0.00000000 0.65025786 0.50000000 1.0 P P9 1 0.34974214 0.34974214 0.50000000 1.0 P P10 1 0.65025786 1.00000000 0.50000000 1.0 P P11 1 0.51746427 0.68906524 0.00000000 1.0 P P12 1 0.31093476 0.82840003 0.00000000 1.0 P P13 1 0.17159997 0.48253573 0.00000000 1.0 P P14 1 0.48253573 0.17159997 0.00000000 1.0 P P15 1 0.68906524 0.51746427 0.00000000 1.0 P P16 1 0.82840003 0.31093476 0.00000000 1.0 P P17 1 0.00000000 0.17653737 0.50000000 1.0 P P18 1 0.82346263 0.82346263 0.50000000 1.0 P P19 1 0.17653737 1.00000000 0.50000000 1.0 Ir Ir20 1 0.50819626 0.86645820 0.00000000 1.0 Ir Ir21 1 0.13354180 0.64173906 0.00000000 1.0 Ir Ir22 1 0.35826094 0.49180374 0.00000000 1.0 Ir Ir23 1 0.49180374 0.35826094 0.00000000 1.0 Ir Ir24 1 0.86645820 0.50819626 0.00000000 1.0 Ir Ir25 1 0.64173906 0.13354180 0.00000000 1.0 Ir Ir26 1 1.00000000 0.27536535 0.00000000 1.0 Ir Ir27 1 0.72463465 0.72463465 0.00000000 1.0 Ir Ir28 1 0.27536535 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62945232 0.80848659 0.50000000 1.0 Ir Ir30 1 0.19151341 0.82096573 0.50000000 1.0 Ir Ir31 1 0.17903427 0.37054768 0.50000000 1.0 Ir Ir32 1 0.37054768 0.17903427 0.50000000 1.0 Ir Ir33 1 0.80848659 0.62945232 0.50000000 1.0 Ir Ir34 1 0.82096573 0.19151341 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0