# generated using pymatgen data_Tb2Sm2AsBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08902431 _cell_length_b 13.38315065 _cell_length_c 14.07355986 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2Sm2AsBr6 _chemical_formula_sum 'Tb4 Sm4 As2 Br12' _cell_volume 770.16188812 _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 Tb Tb0 1 0.50000000 0.11826631 0.34116775 1.0 Tb Tb1 1 0.50000000 0.88173369 0.65883225 1.0 Tb Tb2 1 0.50000000 0.61826631 0.15883225 1.0 Tb Tb3 1 0.50000000 0.38173369 0.84116775 1.0 Sm Sm4 1 0.00000000 0.11899632 0.57971300 1.0 Sm Sm5 1 0.00000000 0.88100368 0.42028700 1.0 Sm Sm6 1 0.00000000 0.61899632 0.92028700 1.0 Sm Sm7 1 0.00000000 0.38100368 0.07971300 1.0 As As8 1 0.50000000 0.00000000 0.50000000 1.0 As As9 1 0.50000000 0.50000000 0.00000000 1.0 Br Br10 1 0.50000000 0.24067237 0.16683089 1.0 Br Br11 1 0.50000000 0.75932763 0.83316911 1.0 Br Br12 1 0.50000000 0.74067237 0.33316911 1.0 Br Br13 1 0.50000000 0.25932763 0.66683089 1.0 Br Br14 1 0.00000000 0.25329155 0.40930134 1.0 Br Br15 1 0.00000000 0.74670845 0.59069866 1.0 Br Br16 1 0.00000000 0.75329155 0.09069866 1.0 Br Br17 1 0.00000000 0.24670845 0.90930134 1.0 Br Br18 1 0.00000000 0.00475463 0.24337092 1.0 Br Br19 1 0.00000000 0.99524537 0.75662908 1.0 Br Br20 1 0.00000000 0.50475463 0.25662908 1.0 Br Br21 1 0.00000000 0.49524537 0.74337092 1.0