# generated using pymatgen data_BaTb2SmO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.65729050 _cell_length_b 8.65729050 _cell_length_c 8.80688689 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTb2SmO6 _chemical_formula_sum 'Ba4 Tb8 Sm4 O24' _cell_volume 660.06453676 _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 0.50000000 -0.00000000 0.50000000 1.0 Ba Ba1 1 0.00000000 0.50000000 -0.00000000 1.0 Ba Ba2 1 0.50000000 0.50000000 -0.00000000 1.0 Ba Ba3 1 0.50000000 0.50000000 0.50000000 1.0 Tb Tb4 1 0.75516479 0.75516479 0.75000000 1.0 Tb Tb5 1 0.24483521 0.75516479 0.75000000 1.0 Tb Tb6 1 0.75516479 0.75516479 0.25000000 1.0 Tb Tb7 1 0.24483521 0.75516479 0.25000000 1.0 Tb Tb8 1 0.75516479 0.24483521 0.75000000 1.0 Tb Tb9 1 0.24483521 0.24483521 0.75000000 1.0 Tb Tb10 1 0.75516479 0.24483521 0.25000000 1.0 Tb Tb11 1 0.24483521 0.24483521 0.25000000 1.0 Sm Sm12 1 0.00000000 -0.00000000 -0.00000000 1.0 Sm Sm13 1 0.50000000 -0.00000000 -0.00000000 1.0 Sm Sm14 1 0.00000000 -0.00000000 0.50000000 1.0 Sm Sm15 1 0.00000000 0.50000000 0.50000000 1.0 O O16 1 0.00000000 0.78930411 0.83156077 1.0 O O17 1 0.50000000 0.76188667 0.71187651 1.0 O O18 1 0.00000000 0.78930411 0.16843923 1.0 O O19 1 0.50000000 0.76188667 0.28812349 1.0 O O20 1 0.00000000 0.21069589 0.83156077 1.0 O O21 1 0.50000000 0.23811333 0.71187651 1.0 O O22 1 0.00000000 0.21069589 0.16843923 1.0 O O23 1 0.50000000 0.23811333 0.28812349 1.0 O O24 1 0.78930411 -0.00000000 0.66843923 1.0 O O25 1 0.21069589 -0.00000000 0.66843923 1.0 O O26 1 0.78930411 -0.00000000 0.33156077 1.0 O O27 1 0.21069589 -0.00000000 0.33156077 1.0 O O28 1 0.76188667 0.50000000 0.78812349 1.0 O O29 1 0.23811333 0.50000000 0.78812349 1.0 O O30 1 0.76188667 0.50000000 0.21187651 1.0 O O31 1 0.23811333 0.50000000 0.21187651 1.0 O O32 1 0.70078539 0.82336655 -0.00000000 1.0 O O33 1 0.29921461 0.82336655 -0.00000000 1.0 O O34 1 0.82336655 0.70078539 0.50000000 1.0 O O35 1 0.17663345 0.70078539 0.50000000 1.0 O O36 1 0.70078539 0.17663345 -0.00000000 1.0 O O37 1 0.29921461 0.17663345 -0.00000000 1.0 O O38 1 0.82336655 0.29921461 0.50000000 1.0 O O39 1 0.17663345 0.29921461 0.50000000 1.0