# generated using pymatgen data_Tm6NbP12Rh17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90183284 _cell_length_b 11.07962448 _cell_length_c 12.63503486 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm6NbP12Rh17 _chemical_formula_sum 'Tm6 Nb1 P12 Rh17' _cell_volume 546.22320384 _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 Tm Tm0 1 0.00000000 0.50000000 0.52249199 1.0 Tm Tm1 1 0.50000000 0.00000000 0.47664538 1.0 Tm Tm2 1 0.50000000 0.81585863 0.20686135 1.0 Tm Tm3 1 0.50000000 0.18414137 0.20686135 1.0 Tm Tm4 1 0.00000000 0.68085513 0.79569538 1.0 Tm Tm5 1 0.00000000 0.31914487 0.79569538 1.0 Nb Nb6 1 0.50000000 0.50000000 0.15888041 1.0 P P7 1 0.50000000 0.50000000 0.87394472 1.0 P P8 1 0.00000000 0.00000000 0.12255131 1.0 P P9 1 0.50000000 0.50000000 0.35254805 1.0 P P10 1 0.00000000 0.00000000 0.64798007 1.0 P P11 1 0.50000000 0.31533685 0.61983179 1.0 P P12 1 0.50000000 0.68466315 0.61983179 1.0 P P13 1 0.00000000 0.18469041 0.38247214 1.0 P P14 1 0.00000000 0.81530959 0.38247214 1.0 P P15 1 0.50000000 0.84831724 0.88937839 1.0 P P16 1 0.50000000 0.15168276 0.88937839 1.0 P P17 1 0.00000000 0.65624064 0.10963741 1.0 P P18 1 0.00000000 0.34375936 0.10963741 1.0 Rh Rh19 1 0.00000000 0.00000000 0.83105525 1.0 Rh Rh20 1 0.50000000 0.50000000 0.69686086 1.0 Rh Rh21 1 0.00000000 0.00000000 0.30007747 1.0 Rh Rh22 1 0.00000000 0.50000000 0.98561571 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01924107 1.0 Rh Rh24 1 0.50000000 0.33086591 0.98257523 1.0 Rh Rh25 1 0.50000000 0.66913409 0.98257523 1.0 Rh Rh26 1 0.00000000 0.16681495 0.01264636 1.0 Rh Rh27 1 0.00000000 0.83318505 0.01264636 1.0 Rh Rh28 1 0.50000000 0.29198457 0.43483581 1.0 Rh Rh29 1 0.50000000 0.70801543 0.43483581 1.0 Rh Rh30 1 0.00000000 0.19910475 0.56964164 1.0 Rh Rh31 1 0.00000000 0.80089525 0.56964164 1.0 Rh Rh32 1 0.50000000 0.87334331 0.71001580 1.0 Rh Rh33 1 0.50000000 0.12665669 0.71001580 1.0 Rh Rh34 1 0.00000000 0.62812433 0.29246107 1.0 Rh Rh35 1 0.00000000 0.37187567 0.29246107 1.0