# generated using pymatgen data_Nd6SmP12Rh17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98252536 _cell_length_b 11.26706318 _cell_length_c 13.02911298 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd6SmP12Rh17 _chemical_formula_sum 'Nd6 Sm1 P12 Rh17' _cell_volume 584.63408247 _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 Nd Nd0 1 0.00000000 0.50000000 0.52518216 1.0 Nd Nd1 1 0.50000000 0.00000000 0.47778416 1.0 Nd Nd2 1 0.50000000 0.81830042 0.20754297 1.0 Nd Nd3 1 0.50000000 0.18169958 0.20754297 1.0 Nd Nd4 1 0.00000000 0.68264221 0.79470100 1.0 Nd Nd5 1 0.00000000 0.31735779 0.79470100 1.0 Sm Sm6 1 0.50000000 0.50000000 0.15585674 1.0 P P7 1 0.50000000 0.50000000 0.87870547 1.0 P P8 1 0.00000000 0.00000000 0.11633335 1.0 P P9 1 0.50000000 0.50000000 0.36422070 1.0 P P10 1 0.00000000 0.00000000 0.65151945 1.0 P P11 1 0.50000000 0.30985527 0.61925555 1.0 P P12 1 0.50000000 0.69014473 0.61925555 1.0 P P13 1 0.00000000 0.18810093 0.38737579 1.0 P P14 1 0.00000000 0.81189907 0.38737579 1.0 P P15 1 0.50000000 0.85342112 0.88795300 1.0 P P16 1 0.50000000 0.14657888 0.88795300 1.0 P P17 1 0.00000000 0.66625124 0.09665043 1.0 P P18 1 0.00000000 0.33374876 0.09665043 1.0 Rh Rh19 1 0.00000000 0.00000000 0.82686979 1.0 Rh Rh20 1 0.50000000 0.50000000 0.70127786 1.0 Rh Rh21 1 0.00000000 0.00000000 0.29548892 1.0 Rh Rh22 1 0.00000000 0.50000000 0.98035662 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01685324 1.0 Rh Rh24 1 0.50000000 0.32586736 0.98303823 1.0 Rh Rh25 1 0.50000000 0.67413264 0.98303823 1.0 Rh Rh26 1 0.00000000 0.16054060 0.00157514 1.0 Rh Rh27 1 0.00000000 0.83945940 0.00157514 1.0 Rh Rh28 1 0.50000000 0.28473455 0.43867338 1.0 Rh Rh29 1 0.50000000 0.71526545 0.43867338 1.0 Rh Rh30 1 0.00000000 0.19905000 0.57302648 1.0 Rh Rh31 1 0.00000000 0.80095000 0.57302648 1.0 Rh Rh32 1 0.50000000 0.87733560 0.71008400 1.0 Rh Rh33 1 0.50000000 0.12266440 0.71008400 1.0 Rh Rh34 1 0.00000000 0.62611751 0.30489881 1.0 Rh Rh35 1 0.00000000 0.37388249 0.30489881 1.0