data_[In4Ge4Pb8S20]
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 [Cmc2_1]
_cell_length_a [4.1727]
_cell_length_b [17.3347]
_cell_length_c [12.1213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [InGePb2S5]
_chemical_formula_sum '[In4 Ge4 Pb8 S20]'
_cell_volume [876.7665]
_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  4  0.0000  0.2037  0.0264  1.0
  Ge  Ge1  4  0.0000  0.4422  0.4369  1.0
  Pb  Pb2  4  0.0000  0.1199  0.3269  1.0
  Pb  Pb3  4  0.0000  0.1329  0.6789  1.0
  S  S4  4  0.0000  0.0443  0.0220  1.0
  S  S5  4  0.0000  0.2963  0.6684  1.0
  S  S6  4  0.0000  0.3149  0.3753  1.0
  S  S7  4  0.0000  0.3512  0.0134  1.0
  S  S8  4  0.0000  0.4926  0.7758  1.0
]