data_[In2Cu2Pb4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.1721]
_cell_length_b [9.8841]
_cell_length_c [6.4462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.0611]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [InCu(PbS2)2]
_chemical_formula_sum '[In2 Cu2 Pb4 S8]'
_cell_volume [409.9607]
_cell_formula_units_Z [2]
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  2  0.0000  0.4859  0.0000  1.0
  Cu  Cu1  2  0.0000  0.7398  0.5000  1.0
  Pb  Pb2  2  0.0000  0.1956  0.5000  1.0
  Pb  Pb3  2  0.0000  0.9488  0.0000  1.0
  S  S4  4  0.2071  0.6371  0.9245  1.0
  S  S5  4  0.2384  0.3714  0.4419  1.0
]