# generated using pymatgen data_Pr4(LuS2)11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 19.52539541 _cell_length_b 19.52539541 _cell_length_c 11.26918258 _cell_angle_alpha 88.65369094 _cell_angle_beta 88.65369094 _cell_angle_gamma 11.52356769 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr4(LuS2)11 _chemical_formula_sum 'Pr4 Lu11 S22' _cell_volume 858.03182013 _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 Pr Pr0 1 0.10424600 0.10424600 0.98693900 1.0 Pr Pr1 1 0.89575400 0.89575400 0.01306100 1.0 Pr Pr2 1 0.36683400 0.36683400 0.65165500 1.0 Pr Pr3 1 0.63316600 0.63316600 0.34834500 1.0 Lu Lu4 1 0.79762800 0.79762800 0.94185800 1.0 Lu Lu5 1 0.20237200 0.20237200 0.05814200 1.0 Lu Lu6 1 0.46189800 0.46189800 0.72922900 1.0 Lu Lu7 1 0.53810200 0.53810200 0.27077100 1.0 Lu Lu8 1 0.65780700 0.65780700 0.69901200 1.0 Lu Lu9 1 0.34219300 0.34219300 0.30098800 1.0 Lu Lu10 1 0.26327000 0.26327000 0.64813700 1.0 Lu Lu11 1 0.73673000 0.73673000 0.35186300 1.0 Lu Lu12 1 0.06957800 0.06957800 0.63846700 1.0 Lu Lu13 1 0.93042200 0.93042200 0.36153300 1.0 Lu Lu14 1 0.00000000 0.00000000 0.00000000 1.0 S S15 1 0.08685900 0.08685900 0.24724100 1.0 S S16 1 0.91314100 0.91314100 0.75275900 1.0 S S17 1 0.18991000 0.18991000 0.30849700 1.0 S S18 1 0.81009000 0.81009000 0.69150300 1.0 S S19 1 0.28021200 0.28021200 0.41077400 1.0 S S20 1 0.71978800 0.71978800 0.58922600 1.0 S S21 1 0.44498800 0.44498800 0.50637400 1.0 S S22 1 0.55501200 0.55501200 0.49362600 1.0 S S23 1 0.13485600 0.13485600 0.54892500 1.0 S S24 1 0.86514400 0.86514400 0.45107500 1.0 S S25 1 0.59284900 0.59284900 0.78550200 1.0 S S26 1 0.40715100 0.40715100 0.21449800 1.0 S S27 1 0.45359400 0.45359400 0.96837700 1.0 S S28 1 0.54640600 0.54640600 0.03162300 1.0 S S29 1 0.34975900 0.34975900 0.90826100 1.0 S S30 1 0.65024100 0.65024100 0.09173900 1.0 S S31 1 0.16909600 0.16909600 0.84744700 1.0 S S32 1 0.83090400 0.83090400 0.15255300 1.0 S S33 1 0.00786400 0.00786400 0.75957600 1.0 S S34 1 0.99213600 0.99213600 0.24042400 1.0 S S35 1 0.25512900 0.25512900 0.88067200 1.0 S S36 1 0.74487100 0.74487100 0.11932800 1.0