# generated using pymatgen data_La4In5S13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04599900 _cell_length_b 11.98986900 _cell_length_c 21.87397500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La4In5S13 _chemical_formula_sum 'La8 In10 S26' _cell_volume 1061.12835713 _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 0.00000000 0.51943400 0.16791100 1.0 La La1 1 0.00000000 0.48056600 0.83208900 1.0 La La2 1 0.00000000 0.01943400 0.33208900 1.0 La La3 1 0.00000000 0.98056600 0.66791100 1.0 La La4 1 0.00000000 0.66536300 0.34343400 1.0 La La5 1 0.00000000 0.33463700 0.65656600 1.0 La La6 1 0.00000000 0.16536300 0.15656600 1.0 La La7 1 0.00000000 0.83463700 0.84343400 1.0 In In8 1 0.50000000 0.84835200 0.17066800 1.0 In In9 1 0.50000000 0.15164800 0.82933200 1.0 In In10 1 0.50000000 0.34835200 0.32933200 1.0 In In11 1 0.50000000 0.65164800 0.67066800 1.0 In In12 1 0.50000000 0.65488600 0.99289600 1.0 In In13 1 0.50000000 0.34511400 0.00710400 1.0 In In14 1 0.50000000 0.15488600 0.50710400 1.0 In In15 1 0.50000000 0.84511400 0.49289600 1.0 In In16 1 0.00000000 0.00000000 0.00000000 1.0 In In17 1 0.00000000 0.50000000 0.50000000 1.0 S S18 1 0.00000000 0.50000000 0.00000000 1.0 S S19 1 0.00000000 0.00000000 0.50000000 1.0 S S20 1 0.50000000 0.66408500 0.11303300 1.0 S S21 1 0.50000000 0.33591500 0.88696700 1.0 S S22 1 0.50000000 0.16408500 0.38696700 1.0 S S23 1 0.50000000 0.83591500 0.61303300 1.0 S S24 1 0.50000000 0.00017800 0.09014500 1.0 S S25 1 0.50000000 0.99982200 0.90985500 1.0 S S26 1 0.50000000 0.50017800 0.40985500 1.0 S S27 1 0.50000000 0.49982200 0.59014500 1.0 S S28 1 0.00000000 0.79727600 0.97864700 1.0 S S29 1 0.00000000 0.20272400 0.02135300 1.0 S S30 1 0.00000000 0.29727600 0.52135300 1.0 S S31 1 0.00000000 0.70272400 0.47864700 1.0 S S32 1 0.00000000 0.82665800 0.23714700 1.0 S S33 1 0.00000000 0.17334200 0.76285300 1.0 S S34 1 0.00000000 0.32665800 0.26285300 1.0 S S35 1 0.00000000 0.67334200 0.73714700 1.0 S S36 1 0.50000000 0.84570400 0.36692400 1.0 S S37 1 0.50000000 0.15429600 0.63307600 1.0 S S38 1 0.50000000 0.34570400 0.13307600 1.0 S S39 1 0.50000000 0.65429600 0.86692400 1.0 S S40 1 0.50000000 0.92562000 0.76151400 1.0 S S41 1 0.50000000 0.07438000 0.23848600 1.0 S S42 1 0.50000000 0.42562000 0.73848600 1.0 S S43 1 0.50000000 0.57438000 0.26151400 1.0