# generated using pymatgen data_In5S4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.70920300 _cell_length_b 12.70920300 _cell_length_c 12.70920300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In5S4 _chemical_formula_sum 'In40 S32' _cell_volume 2052.83928328 _cell_formula_units_Z 8 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 In In0 1 0.26908200 0.26908200 0.26908200 1.0 In In1 1 0.23091800 0.73091800 0.76908200 1.0 In In2 1 0.76908200 0.23091800 0.73091800 1.0 In In3 1 0.73091800 0.76908200 0.23091800 1.0 In In4 1 0.73091800 0.73091800 0.73091800 1.0 In In5 1 0.76908200 0.26908200 0.23091800 1.0 In In6 1 0.23091800 0.76908200 0.26908200 1.0 In In7 1 0.26908200 0.23091800 0.76908200 1.0 In In8 1 0.40123000 0.40123000 0.40123000 1.0 In In9 1 0.09877000 0.59877000 0.90123000 1.0 In In10 1 0.90123000 0.09877000 0.59877000 1.0 In In11 1 0.59877000 0.90123000 0.09877000 1.0 In In12 1 0.59877000 0.59877000 0.59877000 1.0 In In13 1 0.90123000 0.40123000 0.09877000 1.0 In In14 1 0.09877000 0.90123000 0.40123000 1.0 In In15 1 0.40123000 0.09877000 0.90123000 1.0 In In16 1 0.26829700 0.02679900 0.06762000 1.0 In In17 1 0.06762000 0.26829700 0.02679900 1.0 In In18 1 0.02679900 0.06762000 0.26829700 1.0 In In19 1 0.47320100 0.93238000 0.76829700 1.0 In In20 1 0.56762000 0.23170300 0.97320100 1.0 In In21 1 0.97320100 0.56762000 0.23170300 1.0 In In22 1 0.43238000 0.73170300 0.52679900 1.0 In In23 1 0.93238000 0.76829700 0.47320100 1.0 In In24 1 0.52679900 0.43238000 0.73170300 1.0 In In25 1 0.76829700 0.47320100 0.93238000 1.0 In In26 1 0.73170300 0.52679900 0.43238000 1.0 In In27 1 0.23170300 0.97320100 0.56762000 1.0 In In28 1 0.73170300 0.97320100 0.93238000 1.0 In In29 1 0.93238000 0.73170300 0.97320100 1.0 In In30 1 0.97320100 0.93238000 0.73170300 1.0 In In31 1 0.52679900 0.06762000 0.23170300 1.0 In In32 1 0.43238000 0.76829700 0.02679900 1.0 In In33 1 0.02679900 0.43238000 0.76829700 1.0 In In34 1 0.56762000 0.26829700 0.47320100 1.0 In In35 1 0.06762000 0.23170300 0.52679900 1.0 In In36 1 0.47320100 0.56762000 0.26829700 1.0 In In37 1 0.23170300 0.52679900 0.06762000 1.0 In In38 1 0.26829700 0.47320100 0.56762000 1.0 In In39 1 0.76829700 0.02679900 0.43238000 1.0 S S40 1 0.32470800 0.07388900 0.25680900 1.0 S S41 1 0.25680900 0.32470800 0.07388900 1.0 S S42 1 0.07388900 0.25680900 0.32470800 1.0 S S43 1 0.42611100 0.74319100 0.82470800 1.0 S S44 1 0.75680900 0.17529200 0.92611100 1.0 S S45 1 0.92611100 0.75680900 0.17529200 1.0 S S46 1 0.24319100 0.67529200 0.57388900 1.0 S S47 1 0.74319100 0.82470800 0.42611100 1.0 S S48 1 0.57388900 0.24319100 0.67529200 1.0 S S49 1 0.82470800 0.42611100 0.74319100 1.0 S S50 1 0.67529200 0.57388900 0.24319100 1.0 S S51 1 0.17529200 0.92611100 0.75680900 1.0 S S52 1 0.67529200 0.92611100 0.74319100 1.0 S S53 1 0.74319100 0.67529200 0.92611100 1.0 S S54 1 0.92611100 0.74319100 0.67529200 1.0 S S55 1 0.57388900 0.25680900 0.17529200 1.0 S S56 1 0.24319100 0.82470800 0.07388900 1.0 S S57 1 0.07388900 0.24319100 0.82470800 1.0 S S58 1 0.75680900 0.32470800 0.42611100 1.0 S S59 1 0.25680900 0.17529200 0.57388900 1.0 S S60 1 0.42611100 0.75680900 0.32470800 1.0 S S61 1 0.17529200 0.57388900 0.25680900 1.0 S S62 1 0.32470800 0.42611100 0.75680900 1.0 S S63 1 0.82470800 0.07388900 0.24319100 1.0 S S64 1 0.07529400 0.07529400 0.07529400 1.0 S S65 1 0.42470600 0.92470600 0.57529400 1.0 S S66 1 0.57529400 0.42470600 0.92470600 1.0 S S67 1 0.92470600 0.57529400 0.42470600 1.0 S S68 1 0.92470600 0.92470600 0.92470600 1.0 S S69 1 0.57529400 0.07529400 0.42470600 1.0 S S70 1 0.42470600 0.57529400 0.07529400 1.0 S S71 1 0.07529400 0.42470600 0.57529400 1.0