data_[Cs6Tl18Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.4446]
_cell_length_b [12.5661]
_cell_length_c [15.9594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Cs3Tl9Sb2]
_chemical_formula_sum '[Cs6 Tl18 Sb4]'
_cell_volume [1091.8930]
_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  0.0000  0.0000  0.3144  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  8  0.0000  0.2828  0.1246  1.0
  Tl  Tl3  8  0.0000  0.3601  0.3329  1.0
  Tl  Tl4  2  0.0000  0.5000  0.0000  1.0
  Sb  Sb5  4  0.0000  0.2200  0.5000  1.0
]