data_[Cs3La3Tl6Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.0981]
_cell_length_b [8.0981]
_cell_length_c [21.0725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsLa(TlCl3)2]
_chemical_formula_sum '[Cs3 La3 Tl6 Cl18]'
_cell_volume [1196.7610]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5080  1.0
  La  La1  3  0.0000  0.0000  0.0221  1.0
  Tl  Tl2  3  0.0000  0.0000  0.2257  1.0
  Tl  Tl3  3  0.0000  0.0000  0.7148  1.0
  Cl  Cl4  9  0.0498  0.6948  0.6215  1.0
  Cl  Cl5  9  0.0798  0.3911  0.7761  1.0
]