# generated using pymatgen data_Tb2MgTi2S2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80622027 _cell_length_b 3.80622047 _cell_length_c 14.12042194 _cell_angle_alpha 97.74573910 _cell_angle_beta 97.74573906 _cell_angle_gamma 90.00000173 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2MgTi2S2O5 _chemical_formula_sum 'Tb2 Mg1 Ti2 S2 O5' _cell_volume 200.81666245 _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 Tb Tb0 1 0.86407013 0.86407013 0.72814026 1.0 Tb Tb1 1 0.13592987 0.13592987 0.27185974 1.0 Mg Mg2 1 0.25000000 0.75000000 0.50000000 1.0 Ti Ti3 1 0.43427166 0.43427166 0.86854432 1.0 Ti Ti4 1 0.56572834 0.56572834 0.13145568 1.0 S S5 1 0.30811882 0.30811882 0.61623764 1.0 S S6 1 0.69188118 0.69188118 0.38376236 1.0 O O7 1 0.40788198 0.90788198 0.81576396 1.0 O O8 1 0.90859261 0.40859261 0.81718523 1.0 O O9 1 0.59140739 0.09140739 0.18281477 1.0 O O10 1 0.09211802 0.59211802 0.18423604 1.0 O O11 1 0.50000000 0.50000000 0.00000000 1.0