# generated using pymatgen data_Sm3P6Ru2Rh7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93791351 _cell_length_b 11.20628556 _cell_length_c 12.67198438 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3P6Ru2Rh7 _chemical_formula_sum 'Sm6 P12 Ru4 Rh14' _cell_volume 559.20685645 _cell_formula_units_Z 2 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 0.52075657 1.0 Sm Sm1 1 0.50000000 0.00000000 0.47924343 1.0 Sm Sm2 1 0.50000000 0.81862787 0.20454639 1.0 Sm Sm3 1 0.50000000 0.18137213 0.20454639 1.0 Sm Sm4 1 0.00000000 0.68137213 0.79545361 1.0 Sm Sm5 1 0.00000000 0.31862787 0.79545361 1.0 P P6 1 0.50000000 0.50000000 0.88329618 1.0 P P7 1 0.00000000 0.00000000 0.11670382 1.0 P P8 1 0.50000000 0.50000000 0.34497225 1.0 P P9 1 0.00000000 0.00000000 0.65502775 1.0 P P10 1 0.50000000 0.31277136 0.61800058 1.0 P P11 1 0.50000000 0.68722864 0.61800058 1.0 P P12 1 0.00000000 0.18722864 0.38199942 1.0 P P13 1 0.00000000 0.81277136 0.38199942 1.0 P P14 1 0.50000000 0.84741983 0.89298727 1.0 P P15 1 0.50000000 0.15258017 0.89298727 1.0 P P16 1 0.00000000 0.65258017 0.10701273 1.0 P P17 1 0.00000000 0.34741983 0.10701273 1.0 Ru Ru18 1 0.50000000 0.50000000 0.16190526 1.0 Ru Ru19 1 0.00000000 0.00000000 0.83809474 1.0 Ru Ru20 1 0.00000000 0.50000000 0.99107349 1.0 Ru Ru21 1 0.50000000 0.00000000 0.00892651 1.0 Rh Rh22 1 0.50000000 0.50000000 0.70107838 1.0 Rh Rh23 1 0.00000000 0.00000000 0.29892162 1.0 Rh Rh24 1 0.50000000 0.33158363 0.99020823 1.0 Rh Rh25 1 0.50000000 0.66841637 0.99020823 1.0 Rh Rh26 1 0.00000000 0.16841637 0.00979177 1.0 Rh Rh27 1 0.00000000 0.83158363 0.00979177 1.0 Rh Rh28 1 0.50000000 0.29446055 0.42996722 1.0 Rh Rh29 1 0.50000000 0.70553945 0.42996722 1.0 Rh Rh30 1 0.00000000 0.20553945 0.57003278 1.0 Rh Rh31 1 0.00000000 0.79446055 0.57003278 1.0 Rh Rh32 1 0.50000000 0.87558673 0.71214808 1.0 Rh Rh33 1 0.50000000 0.12441327 0.71214808 1.0 Rh Rh34 1 0.00000000 0.62441327 0.28785192 1.0 Rh Rh35 1 0.00000000 0.37558673 0.28785192 1.0