# generated using pymatgen data_CaTb(RuO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23932141 _cell_length_b 7.35517599 _cell_length_c 10.86985195 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTb(RuO3)4 _chemical_formula_sum 'Ca2 Tb2 Ru8 O24' _cell_volume 418.88203959 _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 Ca Ca0 1 0.54446025 0.25000000 0.95243848 1.0 Ca Ca1 1 0.04446025 0.75000000 0.54756152 1.0 Tb Tb2 1 0.45232503 0.75000000 0.04729980 1.0 Tb Tb3 1 0.95232503 0.25000000 0.45270020 1.0 Ru Ru4 1 0.55720660 0.49843476 0.63901642 1.0 Ru Ru5 1 0.05720660 0.50156524 0.86098358 1.0 Ru Ru6 1 0.44301259 0.99685012 0.36108681 1.0 Ru Ru7 1 0.94301259 0.00314988 0.13891319 1.0 Ru Ru8 1 0.05720660 0.99843476 0.86098358 1.0 Ru Ru9 1 0.55720660 0.00156524 0.63901642 1.0 Ru Ru10 1 0.94301259 0.49685012 0.13891319 1.0 Ru Ru11 1 0.44301259 0.50314988 0.36108681 1.0 O O12 1 0.68308276 0.25000000 0.62033537 1.0 O O13 1 0.18308276 0.75000000 0.87966463 1.0 O O14 1 0.32617845 0.75000000 0.37874225 1.0 O O15 1 0.82617845 0.25000000 0.12125775 1.0 O O16 1 0.44323272 0.75000000 0.64640914 1.0 O O17 1 0.94323272 0.25000000 0.85359086 1.0 O O18 1 0.56559929 0.25000000 0.34981343 1.0 O O19 1 0.06559929 0.75000000 0.15018657 1.0 O O20 1 0.11390772 0.43610305 0.28932835 1.0 O O21 1 0.61390772 0.56389695 0.21067165 1.0 O O22 1 0.87683345 0.93775484 0.71524971 1.0 O O23 1 0.37683345 0.06224516 0.78475029 1.0 O O24 1 0.76919234 0.95162615 0.97810579 1.0 O O25 1 0.26919234 0.04837385 0.52189421 1.0 O O26 1 0.23240755 0.46196600 0.02492727 1.0 O O27 1 0.73240755 0.53803400 0.47507273 1.0 O O28 1 0.23240755 0.03803400 0.02492727 1.0 O O29 1 0.73240755 0.96196600 0.47507273 1.0 O O30 1 0.76919234 0.54837385 0.97810579 1.0 O O31 1 0.26919234 0.45162615 0.52189421 1.0 O O32 1 0.61390772 0.93610305 0.21067165 1.0 O O33 1 0.11390772 0.06389695 0.28932835 1.0 O O34 1 0.37683345 0.43775484 0.78475029 1.0 O O35 1 0.87683345 0.56224516 0.71524971 1.0