data_[In8Sn4Pb4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.2561]
_cell_length_b [13.8404]
_cell_length_c [7.3610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In2SnPbS6]
_chemical_formula_sum '[In8 Sn4 Pb4 S24]'
_cell_volume [1144.0458]
_cell_formula_units_Z [4]
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  8  0.1177  0.4181  0.6522  1.0
  Sn  Sn1  4  0.0000  0.1813  0.2500  1.0
  Pb  Pb2  4  0.0000  0.0973  0.7500  1.0
  S  S3  8  0.1200  0.4199  0.0003  1.0
  S  S4  8  0.1294  0.2423  0.5740  1.0
  S  S5  8  0.1340  0.0679  0.1844  1.0
]