# generated using pymatgen data_La8Nb7S22 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.39108437 _cell_length_b 16.39108437 _cell_length_c 5.84382450 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.68789976 _symmetry_Int_Tables_number 1 _chemical_formula_structural La8Nb7S22 _chemical_formula_sum 'La16 Nb14 S44' _cell_volume 1569.93342030 _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 La La0 1 0.86013033 0.98632543 0.92023129 1.0 La La1 1 0.13986967 0.01367457 0.92023129 1.0 La La2 1 0.01367457 0.13986967 0.42023129 1.0 La La3 1 0.98632543 0.86013033 0.42023129 1.0 La La4 1 0.73470167 0.10940363 0.43934927 1.0 La La5 1 0.26529833 0.89059637 0.43934927 1.0 La La6 1 0.89059637 0.26529833 0.93934927 1.0 La La7 1 0.10940363 0.73470167 0.93934927 1.0 La La8 1 0.61002042 0.23567405 0.91116577 1.0 La La9 1 0.38997958 0.76432595 0.91116577 1.0 La La10 1 0.76432595 0.38997958 0.41116577 1.0 La La11 1 0.23567405 0.61002042 0.41116577 1.0 La La12 1 0.48404869 0.36105240 0.43152652 1.0 La La13 1 0.51595131 0.63894760 0.43152652 1.0 La La14 1 0.63894760 0.51595131 0.93152652 1.0 La La15 1 0.36105240 0.48404869 0.93152652 1.0 Nb Nb16 1 0.50000000 -0.00000000 0.99908116 1.0 Nb Nb17 1 -0.00000000 0.50000000 0.49908116 1.0 Nb Nb18 1 0.42857250 0.07035536 0.50170502 1.0 Nb Nb19 1 0.57142750 0.92964464 0.50170502 1.0 Nb Nb20 1 0.92964464 0.57142750 0.00170502 1.0 Nb Nb21 1 0.07035536 0.42857250 0.00170502 1.0 Nb Nb22 1 0.35567801 0.14312559 0.99954269 1.0 Nb Nb23 1 0.64432199 0.85687441 0.99954269 1.0 Nb Nb24 1 0.85687441 0.64432199 0.49954269 1.0 Nb Nb25 1 0.14312559 0.35567801 0.49954269 1.0 Nb Nb26 1 0.28718524 0.21336674 0.50073899 1.0 Nb Nb27 1 0.71281476 0.78663326 0.50073899 1.0 Nb Nb28 1 0.78663326 0.71281476 0.00073899 1.0 Nb Nb29 1 0.21336674 0.28718524 0.00073899 1.0 S S30 1 0.56904562 0.07098558 0.66772741 1.0 S S31 1 0.43095438 0.92901442 0.66772741 1.0 S S32 1 0.92901442 0.43095438 0.16772741 1.0 S S33 1 0.07098558 0.56904562 0.16772741 1.0 S S34 1 0.36048149 0.00392060 0.16850340 1.0 S S35 1 0.63951851 0.99607940 0.16850340 1.0 S S36 1 0.99607940 0.63951851 0.66850340 1.0 S S37 1 0.00392060 0.36048149 0.66850340 1.0 S S38 1 0.49429424 0.13926021 0.17063818 1.0 S S39 1 0.50570576 0.86073979 0.17063818 1.0 S S40 1 0.86073979 0.50570576 0.67063818 1.0 S S41 1 0.13926021 0.49429424 0.67063818 1.0 S S42 1 0.28801778 0.07229235 0.66684116 1.0 S S43 1 0.71198222 0.92770765 0.66684116 1.0 S S44 1 0.92770765 0.71198222 0.16684116 1.0 S S45 1 0.07229235 0.28801778 0.16684116 1.0 S S46 1 0.42853635 0.20974896 0.66954224 1.0 S S47 1 0.57146365 0.79025104 0.66954224 1.0 S S48 1 0.79025104 0.57146365 0.16954224 1.0 S S49 1 0.20974896 0.42853635 0.16954224 1.0 S S50 1 0.21522488 0.14851913 0.17036002 1.0 S S51 1 0.78477512 0.85148087 0.17036002 1.0 S S52 1 0.85148087 0.78477512 0.67036002 1.0 S S53 1 0.14851913 0.21522488 0.67036002 1.0 S S54 1 0.35303509 0.28364586 0.16753864 1.0 S S55 1 0.64696491 0.71635414 0.16753864 1.0 S S56 1 0.71635414 0.64696491 0.66753864 1.0 S S57 1 0.28364586 0.35303509 0.66753864 1.0 S S58 1 0.88803795 0.01293017 0.42176999 1.0 S S59 1 0.11196205 0.98706983 0.42176999 1.0 S S60 1 0.38807630 0.51314935 0.42627713 1.0 S S61 1 0.61192370 0.48685065 0.42627713 1.0 S S62 1 0.48685065 0.61192370 0.92627713 1.0 S S63 1 0.51314935 0.38807630 0.92627713 1.0 S S64 1 0.26343216 0.63741771 0.91772688 1.0 S S65 1 0.73656784 0.36258229 0.91772688 1.0 S S66 1 0.36258229 0.73656784 0.41772688 1.0 S S67 1 0.63741771 0.26343216 0.41772688 1.0 S S68 1 0.13867737 0.76288945 0.42987633 1.0 S S69 1 0.86132263 0.23711055 0.42987633 1.0 S S70 1 0.23711055 0.86132263 0.92987633 1.0 S S71 1 0.76288945 0.13867737 0.92987633 1.0 S S72 1 0.01293017 0.88803795 0.92176999 1.0 S S73 1 0.98706983 0.11196205 0.92176999 1.0