data_[In8Ge4Pb4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
  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 [12.1047]
_cell_length_b [13.8183]
_cell_length_c [7.1870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5520]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In2GePbS6]
_chemical_formula_sum '[In8 Ge4 Pb4 S24]'
_cell_volume [1102.0006]
_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  0.1134  0.4142  0.6385  1
  Ge  Ge1  4  0.0000  0.1759  0.2500  1
  Pb  Pb2  4  0.0000  0.0961  0.7500  1
  S  S3  8  0.1210  0.2394  0.5501  1
  S  S4  8  0.1256  0.4212  0.0010  1
  S  S5  8  0.1305  0.0742  0.1954  1
]