data_[In9Sb3Pb6S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.7621]
_cell_length_b [7.7621]
_cell_length_c [22.6023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [In3Sb(PbS4)2]
_chemical_formula_sum '[In9 Sb3 Pb6 S24]'
_cell_volume [1179.3456]
_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  0.0055  0.5028  0.0004  1.0
  Sb  Sb1  3  0.0000  0.0000  0.8853  1.0
  Pb  Pb2  3  0.0000  0.0000  0.1282  1.0
  Pb  Pb3  3  0.0000  0.0000  0.4883  1.0
  S  S4  9  0.0068  0.5034  0.2623  1.0
  S  S5  9  0.1771  0.3541  0.0697  1.0
  S  S6  3  0.0000  0.0000  0.2734  1.0
  S  S7  3  0.0000  0.0000  0.7202  1.0
]