data_[Cs4Tl12Pb4]
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 [Cmcm]
_cell_length_a [8.1907]
_cell_length_b [12.7733]
_cell_length_c [7.5958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsTl3Pb]
_chemical_formula_sum '[Cs4 Tl12 Pb4]'
_cell_volume [794.6875]
_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  0.2666  0.7500  1.0
  Tl  Tl1  8  0.2186  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0000  0.3961  0.2500  1.0
  Pb  Pb3  4  0.0000  0.1446  0.2500  1.0
]