data_[In12Ge3Pb3S24]
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 [R3m]
_cell_length_a [8.1607]
_cell_length_b [8.1607]
_cell_length_c [18.0251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [In4GePbS8]
_chemical_formula_sum '[In12 Ge3 Pb3 S24]'
_cell_volume [1039.5831]
_cell_formula_units_Z [3]
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  9  0.1735  0.3471  0.8348  1
  In  In1  3  0.0000  0.0000  0.6166  1
  Ge  Ge2  3  0.0000  0.0000  0.9977  1
  Pb  Pb3  3  0.0000  0.0000  0.4084  1
  S  S4  9  0.0567  0.5283  0.7490  1
  S  S5  9  0.1704  0.3407  0.5723  1
  S  S6  3  0.0000  0.0000  0.2506  1
  S  S7  3  0.0000  0.0000  0.7584  1
]