# generated using pymatgen data_Ba2Yb(SmSn2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.31094156 _cell_length_b 8.76874881 _cell_length_c 16.81868172 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Yb(SmSn2)2 _chemical_formula_sum 'Ba8 Yb4 Sm8 Sn16' _cell_volume 1225.68764916 _cell_formula_units_Z 4 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 Ba Ba0 1 0.50927766 0.67702694 0.59709821 1.0 Ba Ba1 1 0.00927766 0.82297306 0.90290179 1.0 Ba Ba2 1 0.49072234 0.32297306 0.09709821 1.0 Ba Ba3 1 0.99072234 0.17702694 0.40290179 1.0 Ba Ba4 1 0.49072234 0.32297306 0.40290179 1.0 Ba Ba5 1 0.99072234 0.17702694 0.09709821 1.0 Ba Ba6 1 0.50927766 0.67702694 0.90290179 1.0 Ba Ba7 1 0.00927766 0.82297306 0.59709821 1.0 Yb Yb8 1 0.84153566 0.50276125 0.75000000 1.0 Yb Yb9 1 0.34153566 0.99723875 0.75000000 1.0 Yb Yb10 1 0.15846434 0.49723875 0.25000000 1.0 Yb Yb11 1 0.65846434 0.00276125 0.25000000 1.0 Sm Sm12 1 0.67422617 0.17228525 0.62270053 1.0 Sm Sm13 1 0.17422617 0.32771475 0.87729947 1.0 Sm Sm14 1 0.32577383 0.82771475 0.12270053 1.0 Sm Sm15 1 0.82577383 0.67228525 0.37729947 1.0 Sm Sm16 1 0.32577383 0.82771475 0.37729947 1.0 Sm Sm17 1 0.82577383 0.67228525 0.12270053 1.0 Sm Sm18 1 0.67422617 0.17228525 0.87729947 1.0 Sm Sm19 1 0.17422617 0.32771475 0.62270053 1.0 Sn Sn20 1 0.65281505 0.95737461 0.45976518 1.0 Sn Sn21 1 0.15281505 0.54262539 0.04023482 1.0 Sn Sn22 1 0.34718495 0.04262539 0.95976518 1.0 Sn Sn23 1 0.84718495 0.45737461 0.54023482 1.0 Sn Sn24 1 0.34718495 0.04262539 0.54023482 1.0 Sn Sn25 1 0.84718495 0.45737461 0.95976518 1.0 Sn Sn26 1 0.65281505 0.95737461 0.04023482 1.0 Sn Sn27 1 0.15281505 0.54262539 0.45976518 1.0 Sn Sn28 1 0.46970156 0.36792827 0.75000000 1.0 Sn Sn29 1 0.96970156 0.13207173 0.75000000 1.0 Sn Sn30 1 0.53029844 0.63207173 0.25000000 1.0 Sn Sn31 1 0.03029844 0.86792827 0.25000000 1.0 Sn Sn32 1 0.71848327 0.89395459 0.75000000 1.0 Sn Sn33 1 0.21848327 0.60604541 0.75000000 1.0 Sn Sn34 1 0.28151673 0.10604541 0.25000000 1.0 Sn Sn35 1 0.78151673 0.39395459 0.25000000 1.0