data_[Cs6Tl8Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0310]
_cell_length_b [5.3599]
_cell_length_c [10.8959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3(Tl2Pb)2]
_chemical_formula_sum '[Cs6 Tl8 Pb4]'
_cell_volume [834.3877]
_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
[
  Cs  Cs0  4  0.1183  0.5000  0.3844  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0883  0.0000  0.6788  1.0
  Tl  Tl3  4  0.1974  0.5000  0.0678  1.0
  Pb  Pb4  4  0.2056  0.5000  0.7716  1.0
]