data_[In4Pb4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.7318]
_cell_length_b [11.7059]
_cell_length_c [7.4858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6890]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [InPbCl3]
_chemical_formula_sum '[In4 Pb4 Cl12]'
_cell_volume [728.9707]
_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  0.1342  0.2003  0.3071  1.0
  Pb  Pb1  4  0.1402  0.3999  0.8053  1.0
  Cl  Cl2  4  0.3141  0.4116  0.5308  1.0
  Cl  Cl3  4  0.4105  0.2570  0.0457  1.0
  Cl  Cl4  4  0.4662  0.0865  0.5861  1.0
]