data_[Cs4Pb4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.5767]
_cell_length_b [7.4650]
_cell_length_c [10.5248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsPbCl3]
_chemical_formula_sum '[Cs4 Pb4 Cl12]'
_cell_volume [746.1467]
_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  0.3810  0.2216  0.8268  1.0
  Pb  Pb1  4  0.0976  0.7407  0.4260  1.0
  Cl  Cl2  4  0.0812  0.5668  0.1766  1.0
  Cl  Cl3  4  0.1857  0.0734  0.0597  1.0
  Cl  Cl4  4  0.3811  0.6958  0.8995  1.0
]