data_[In4Sb4Pb8S20]
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 [Cmc2_1]
_cell_length_a [4.0533]
_cell_length_b [18.3866]
_cell_length_c [12.3859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [InSbPb2S5]
_chemical_formula_sum '[In4 Sb4 Pb8 S20]'
_cell_volume [923.0863]
_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  0.4412  0.4493  1.0
  Sb  Sb1  4  0.0000  0.2193  0.0185  1.0
  Pb  Pb2  4  0.0000  0.1175  0.3005  1.0
  Pb  Pb3  4  0.0000  0.1252  0.6817  1.0
  S  S4  4  0.0000  0.0457  0.0657  1.0
  S  S5  4  0.0000  0.2822  0.6633  1.0
  S  S6  4  0.0000  0.3172  0.3583  1.0
  S  S7  4  0.0000  0.3556  0.0068  1.0
  S  S8  4  0.0000  0.4897  0.7800  1.0
]