data_[Cs8In4Pb4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [Cmc2_1]
_cell_length_a [4.5163]
_cell_length_b [22.2662]
_cell_length_c [13.3042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2InPbCl5]
_chemical_formula_sum '[Cs8 In4 Pb4 Cl20]'
_cell_volume [1337.8852]
_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
[
  Cs  Cs0  4  0.0000  0.1211  0.7212  1.0
  Cs  Cs1  4  0.0000  0.1234  0.2912  1.0
  In  In2  4  0.0000  0.4903  0.5016  1.0
  Pb  Pb3  4  0.0000  0.2275  0.0046  1.0
  Cl  Cl4  4  0.0000  0.0950  0.0018  1.0
  Cl  Cl5  4  0.0000  0.2804  0.3606  1.0
  Cl  Cl6  4  0.0000  0.2807  0.6485  1.0
  Cl  Cl7  4  0.0000  0.3556  0.0048  1.0
  Cl  Cl8  4  0.0000  0.4977  0.2896  1.0
]