# generated using pymatgen data_Tm6TaP12Rh17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89781198 _cell_length_b 11.06860676 _cell_length_c 12.63556600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm6TaP12Rh17 _chemical_formula_sum 'Tm6 Ta1 P12 Rh17' _cell_volume 545.14062146 _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 0.52240029 1.0 Tm Tm1 1 0.50000000 0.00000000 0.47662015 1.0 Tm Tm2 1 0.50000000 0.81626978 0.20691181 1.0 Tm Tm3 1 0.50000000 0.18373022 0.20691181 1.0 Tm Tm4 1 0.00000000 0.68052243 0.79596911 1.0 Tm Tm5 1 0.00000000 0.31947757 0.79596911 1.0 Ta Ta6 1 0.50000000 0.50000000 0.15902874 1.0 P P7 1 0.50000000 0.50000000 0.87363521 1.0 P P8 1 0.00000000 0.00000000 0.12225849 1.0 P P9 1 0.50000000 0.50000000 0.35304438 1.0 P P10 1 0.00000000 0.00000000 0.64797871 1.0 P P11 1 0.50000000 0.31545341 0.61965198 1.0 P P12 1 0.50000000 0.68454659 0.61965198 1.0 P P13 1 0.00000000 0.18465503 0.38242460 1.0 P P14 1 0.00000000 0.81534497 0.38242460 1.0 P P15 1 0.50000000 0.84799276 0.88915001 1.0 P P16 1 0.50000000 0.15200724 0.88915001 1.0 P P17 1 0.00000000 0.65595314 0.11017965 1.0 P P18 1 0.00000000 0.34404686 0.11017965 1.0 Rh Rh19 1 0.00000000 0.00000000 0.83104974 1.0 Rh Rh20 1 0.50000000 0.50000000 0.69696854 1.0 Rh Rh21 1 0.00000000 0.00000000 0.29972444 1.0 Rh Rh22 1 0.00000000 0.50000000 0.98728416 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01843523 1.0 Rh Rh24 1 0.50000000 0.33147416 0.98319056 1.0 Rh Rh25 1 0.50000000 0.66852584 0.98319056 1.0 Rh Rh26 1 0.00000000 0.16731622 0.01290635 1.0 Rh Rh27 1 0.00000000 0.83268378 0.01290635 1.0 Rh Rh28 1 0.50000000 0.29236061 0.43453663 1.0 Rh Rh29 1 0.50000000 0.70763939 0.43453663 1.0 Rh Rh30 1 0.00000000 0.19899289 0.56932520 1.0 Rh Rh31 1 0.00000000 0.80100711 0.56932520 1.0 Rh Rh32 1 0.50000000 0.87310592 0.70987431 1.0 Rh Rh33 1 0.50000000 0.12689408 0.70987431 1.0 Rh Rh34 1 0.00000000 0.62778273 0.29166725 1.0 Rh Rh35 1 0.00000000 0.37221727 0.29166725 1.0