# generated using pymatgen data_Tb4LuP12Ru19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.44356268 _cell_length_b 12.43955479 _cell_length_c 3.96355911 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.01066370 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb4LuP12Ru19 _chemical_formula_sum 'Tb4 Lu1 P12 Ru19' _cell_volume 531.27437710 _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 0.99991426 0.18345187 0.50000000 1.0 Tb Tb1 1 0.81646139 0.81654813 0.50000000 1.0 Tb Tb2 1 0.66630385 0.33341414 0.00000000 1.0 Tb Tb3 1 0.33288871 0.66658586 0.00000000 1.0 Lu Lu4 1 0.18250863 0.00000000 0.50000000 1.0 P P5 1 0.00092855 0.81589382 0.00000000 1.0 P P6 1 0.18503473 0.18410618 0.00000000 1.0 P P7 1 0.81552029 1.00000000 0.00000000 1.0 P P8 1 0.69378849 0.17108338 0.50000000 1.0 P P9 1 0.82952504 0.52372551 0.50000000 1.0 P P10 1 0.47687762 0.30592561 0.50000000 1.0 P P11 1 0.17095301 0.69407439 0.50000000 1.0 P P12 1 0.52270611 0.82891662 0.50000000 1.0 P P13 1 0.30579953 0.47627449 0.50000000 1.0 P P14 1 0.00006364 0.37335077 0.00000000 1.0 P P15 1 0.62671287 0.62664923 0.00000000 1.0 P P16 1 0.37273607 0.00000000 0.00000000 1.0 Ru Ru17 1 0.00088735 0.55537280 0.00000000 1.0 Ru Ru18 1 0.44551355 0.44462720 0.00000000 1.0 Ru Ru19 1 0.55429776 1.00000000 0.00000000 1.0 Ru Ru20 1 0.00104873 0.71854903 0.50000000 1.0 Ru Ru21 1 0.28249970 0.28145097 0.50000000 1.0 Ru Ru22 1 0.71701227 1.00000000 0.50000000 1.0 Ru Ru23 1 0.80781654 0.18501592 0.00000000 1.0 Ru Ru24 1 0.81563926 0.62333018 0.00000000 1.0 Ru Ru25 1 0.37522587 0.18977009 0.00000000 1.0 Ru Ru26 1 0.18545578 0.81022991 0.00000000 1.0 Ru Ru27 1 0.62280062 0.81498408 0.00000000 1.0 Ru Ru28 1 0.19230908 0.37666982 0.00000000 1.0 Ru Ru29 1 0.87398587 0.36649490 0.50000000 1.0 Ru Ru30 1 0.63407924 0.50798530 0.50000000 1.0 Ru Ru31 1 0.49166815 0.12601171 0.50000000 1.0 Ru Ru32 1 0.36565644 0.87398829 0.50000000 1.0 Ru Ru33 1 0.50749097 0.63350510 0.50000000 1.0 Ru Ru34 1 0.12609294 0.49201470 0.50000000 1.0 Ru Ru35 1 0.00180004 1.00000000 0.00000000 1.0