data_[Cs3Ag2Pb1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.6321]
_cell_length_b [7.6321]
_cell_length_c [10.1364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3Ag2PbCl8]
_chemical_formula_sum '[Cs3 Ag2 Pb1 Cl8]'
_cell_volume [511.3343]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.3702  1.0
  Cs  Cs1  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  2  0.3333  0.6667  0.8065  1.0
  Pb  Pb3  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl4  6  0.1686  0.3372  0.6643  1.0
  Cl  Cl5  2  0.3333  0.6667  0.0437  1.0
]