# generated using pymatgen data_Sm6P12Rh17W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94686260 _cell_length_b 11.14382306 _cell_length_c 12.77359875 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm6P12Rh17W _chemical_formula_sum 'Sm6 P12 Rh17 W1' _cell_volume 561.82296260 _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 Sm Sm0 1 0.00000000 0.50000000 0.51992847 1.0 Sm Sm1 1 0.50000000 0.00000000 0.47815180 1.0 Sm Sm2 1 0.50000000 0.81523566 0.20594550 1.0 Sm Sm3 1 0.50000000 0.18476434 0.20594550 1.0 Sm Sm4 1 0.00000000 0.68191742 0.79650545 1.0 Sm Sm5 1 0.00000000 0.31808258 0.79650545 1.0 P P6 1 0.50000000 0.50000000 0.87683900 1.0 P P7 1 0.00000000 0.00000000 0.11914988 1.0 P P8 1 0.50000000 0.50000000 0.34465464 1.0 P P9 1 0.00000000 0.00000000 0.65217772 1.0 P P10 1 0.50000000 0.31352356 0.61777784 1.0 P P11 1 0.50000000 0.68647644 0.61777784 1.0 P P12 1 0.00000000 0.18782684 0.38297995 1.0 P P13 1 0.00000000 0.81217316 0.38297995 1.0 P P14 1 0.50000000 0.84787725 0.89161357 1.0 P P15 1 0.50000000 0.15212275 0.89161357 1.0 P P16 1 0.00000000 0.65287401 0.10988567 1.0 P P17 1 0.00000000 0.34712599 0.10988567 1.0 Rh Rh18 1 0.00000000 0.00000000 0.83249663 1.0 Rh Rh19 1 0.50000000 0.50000000 0.69856873 1.0 Rh Rh20 1 0.00000000 0.00000000 0.29818591 1.0 Rh Rh21 1 0.00000000 0.50000000 0.99058689 1.0 Rh Rh22 1 0.50000000 0.00000000 0.01691561 1.0 Rh Rh23 1 0.50000000 0.33310566 0.98784124 1.0 Rh Rh24 1 0.50000000 0.66689434 0.98784124 1.0 Rh Rh25 1 0.00000000 0.16772710 0.01073400 1.0 Rh Rh26 1 0.00000000 0.83227290 0.01073400 1.0 Rh Rh27 1 0.50000000 0.29097976 0.43232256 1.0 Rh Rh28 1 0.50000000 0.70902024 0.43232256 1.0 Rh Rh29 1 0.00000000 0.20270547 0.57023940 1.0 Rh Rh30 1 0.00000000 0.79729453 0.57023940 1.0 Rh Rh31 1 0.50000000 0.87451606 0.71117757 1.0 Rh Rh32 1 0.50000000 0.12548394 0.71117757 1.0 Rh Rh33 1 0.00000000 0.62375325 0.28991480 1.0 Rh Rh34 1 0.00000000 0.37624675 0.28991480 1.0 W W35 1 0.50000000 0.50000000 0.15846759 1.0